From 87edc4a21779ffb057d9db2afd83da071889d747 Mon Sep 17 00:00:00 2001 From: Chris Iacovella Date: Wed, 24 May 2023 14:25:27 -0700 Subject: [PATCH] Water box (#1115) * initial code commit of water box * additional edits to water_box * now includes masking * added gro file updated typo * added tests * added testing file * updated water box routines/tests * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci * removing a few unused variables from tests * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci * fixed accidental indent error in test function resulting from fixing a conflit * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci * added fix to condense function * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci * swapped packmol filling for 3d lattice in mask test * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci * add module level docstring * Update mbuild/compound.py Co-authored-by: Co Quach <43968221+daico007@users.noreply.github.com> * styles and docstrings fix * pin protobuf * added symengine to dev.yml file * remove symengine --------- Co-authored-by: Christopher Iacovella Co-authored-by: Christopher Iacovella Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> Co-authored-by: Co Quach Co-authored-by: Co Quach <43968221+daico007@users.noreply.github.com> --- environment-dev-win.yml | 2 +- environment-dev.yml | 2 +- mbuild/compound.py | 23 +- mbuild/lib/recipes/water_box.py | 220 + mbuild/lib/recipes/water_proto.gro | 6411 ++++++++++++++++++++++++++++ mbuild/tests/test_compound.py | 22 + mbuild/tests/test_water_box.py | 191 + 7 files changed, 6865 insertions(+), 6 deletions(-) create mode 100644 mbuild/lib/recipes/water_box.py create mode 100644 mbuild/lib/recipes/water_proto.gro create mode 100644 mbuild/tests/test_water_box.py diff --git a/environment-dev-win.yml b/environment-dev-win.yml index 39185af09..a50c45686 100644 --- a/environment-dev-win.yml +++ b/environment-dev-win.yml @@ -20,7 +20,7 @@ dependencies: - parmed>=3.4.3 - pip - pre-commit - - protobuf + - protobuf<4 - py3Dmol - pycifrw - pytest diff --git a/environment-dev.yml b/environment-dev.yml index 8aa8dae99..f3cc47950 100644 --- a/environment-dev.yml +++ b/environment-dev.yml @@ -21,7 +21,7 @@ dependencies: - parmed>=3.4.3 - pip - pre-commit - - protobuf + - protobuf<4 - py3Dmol - pycifrw - pytest diff --git a/mbuild/compound.py b/mbuild/compound.py index 453ed1053..79aeda987 100644 --- a/mbuild/compound.py +++ b/mbuild/compound.py @@ -1982,11 +1982,13 @@ def condense(self, inplace=True): """ # temporary list of components comp_list = [] + comp_list_id = [] connected_subgraph = self.root.bond_graph.connected_components() - + unbound_particles = [] for molecule in connected_subgraph: if len(molecule) == 1: ancestors = [molecule[0]] + unbound_particles.append(molecule[0]) else: ancestors = IndexedSet(molecule[0].ancestors()) for particle in molecule[1:]: @@ -2000,9 +2002,22 @@ def condense(self, inplace=True): IndexedSet(particle.ancestors()) ) - """Parse molecule information""" - molecule_tag = ancestors[0] - comp_list.append(clone(molecule_tag)) + """Parse molecule information""" + molecule_tag = ancestors[0] + comp_list.append(clone(molecule_tag)) + # generate a list of particle ids within the compound + # this will also include any particles that are part of the + # Compound but are not bonded + + pids = [id(p) for p in molecule_tag.particles()] + comp_list_id += pids + # loop over particles without bonds + # if any of the particles exist in a compound + # don't add them, as they already exist + for ubp in unbound_particles: + if id(ubp) not in comp_list_id: + comp_list.append(clone(ubp)) + if inplace: for child in [self.children]: # Need to handle the case when child is a port diff --git a/mbuild/lib/recipes/water_box.py b/mbuild/lib/recipes/water_box.py new file mode 100644 index 000000000..0bec3b4ba --- /dev/null +++ b/mbuild/lib/recipes/water_box.py @@ -0,0 +1,220 @@ +"""mBuild recipe for building a water box.""" +import itertools +import math as math +from collections.abc import Iterable + +import numpy as np + +import mbuild.lib.molecules.water as water_models +from mbuild import Compound, clone, force_overlap, load +from mbuild.exceptions import MBuildError + +__all__ = ["Water3SiteBox"] + + +def _flatten_list(c_list): + """Flatten a list. + + Helper function to flatten a list that may be nested, e.g. [comp1, [comp2, comp3]]. + """ + if isinstance(c_list, Iterable) and not isinstance(c_list, str): + for c in c_list: + if isinstance(c, Iterable) and not isinstance(c, str): + yield from _flatten_list(c) + else: + yield c + + +class Water3SiteBox(Compound): + """Generate a box of 3-site water molecules. + + Efficiently create an mbuild Compound containing water at density ~1000 kg/m^3 + where local molecule orientations should exist in relatively low energy states. + This loads in a configuration previously generated with packmol and relaxed with + GROMACS via NVT simulation at 305K using tip3p model, simulated in a 4 nm^3 box. + The code will duplicate/truncate the configuration as necessary to satisify the + given box dimensions. + + Parameters + ---------- + box : mb.Box + The desired box to fill with water + edge : float or list of floats, default=0.1 (nm) + Specifies the gutter around the system to avoid overlaps at boundaries + model : mb.Compound, optional, default=water_models.WaterTIP3P() + The specified 3-site water model to be used. This uses the force overlap + command to translate and orient the specified water model to the given coordinates. + See mbuild/lib/molecules/water.py for available water models or extend the base model. + mask : mb.Compound, optional, default=None + Remove water molecules from the final configuration that overlap with the Compound + specified by the mask. If the element field is set, the sum of the particle radii + will be used. + radii_dict : dict, optional, None + User defined radii values based on the name field of a Compound. This will supercede + the built-in elements' radii. + radii_overlap : float, optional, default=0.15 (nm) + Default value if the radii_dict or element field are not defined for a particle. + radii_scaling : float, optional, default=1.0 + Radii are multiplied by this factor during the masking routine. This allows the + space between the masking particles and the water to be adjusted. This will apply to + values in radii_dict, radii based on element, and radii_overlap. + + + """ + + def __init__( + self, + box, + edge=0.1, + model=water_models.WaterTIP3P(), + mask=None, + radii_dict=None, + radii_overlap=0.15, + radii_scaling=1.0, + ): + super(Water3SiteBox, self).__init__() + + # if we do not define a dictionary, create an empty one + if radii_dict is None: + radii_dict = {} + else: + if not isinstance(radii_dict, dict): + raise ValueError(f"radii_dict should be dictionary.") + + # check if we are given a list or single value + if isinstance(edge, (list, tuple)): + if len(edge) != 3: + raise ValueError( + f"edge should either be a single float/int or a list of length 3, not a list of {len(edge)}." + ) + edges = np.array(edge) + else: + assert isinstance(edge, (float, int)) + edges = np.array([edge, edge, edge]) + + # If a model is specified, we will check to ensure that + # the first particle in the compound corresponds to Oxygen. + + if model is not None: + if not isinstance(model, Compound): + raise MBuildError(f"Model must be a compound.") + particles = [p for p in model.particles()] + if particles[0].element.symbol != "O": + raise MBuildError( + "The first particle in the model needs to correspond to oxygen." + ) + if len(particles) != 3: + raise MBuildError("The only works with 3-site models of water.") + + # check if mask is set + msg = "Mask must be a Compound or a list/tuple of Compounds." + if mask is not None: + if not isinstance(mask, (list, tuple, Compound)): + raise MBuildError(msg) + elif isinstance(mask, (list, tuple)): + # in case we are specified a list of Compounds, + # we will make sure it is a 1d list. + mask = [e for e in _flatten_list(mask)] + if not all([isinstance(entry, Compound) for entry in mask]): + raise MBuildError(msg) + + # read in our propotype, a 4.0x4.0x4.0 nm box + # our prototype was relaxed in GROMACs at 305 K, density 1000 kg/m^3 using tip3p + aa_waters = load( + "water_proto.gro", + relative_to_module=self.__module__, + ) + + # loop over each water in our configuration + # add in the necessary bonds missing from the .gro file + # rename particles/Compound according to the given water model + for water in aa_waters.children: + water.add_bond((water.children[0], water.children[1])) + water.add_bond((water.children[0], water.children[2])) + + temp = clone(model) + force_overlap(temp, temp, water, add_bond=False) + water.name = model.name + water.children[0].name = model.children[0].name + water.children[1].name = model.children[1].name + water.children[2].name = model.children[2].name + water.xyz = temp.xyz + + # scaling parameters for the new box + scale_Lx = math.ceil(box.Lx / aa_waters.box.Lx) + scale_Ly = math.ceil(box.Ly / aa_waters.box.Ly) + scale_Lz = math.ceil(box.Lz / aa_waters.box.Lz) + + water_system_list = [] + + # we will create a list of particles for the mask + # if specified now to save time later + if mask is not None: + if isinstance(mask, Compound): + p_mask = [p for p in mask.particles()] + else: + p_mask = [] + for entry in mask: + p_mask = p_mask + [p for p in entry.particles()] + + # add water molecules to a list + # note we add to a list first, as this is more efficient than calling + # the Compound.add function repeatedly as the Compound size grows. + for water in aa_waters.children: + for i, j, k in itertools.product( + range(scale_Lx), range(scale_Ly), range(scale_Lz) + ): + shift = np.array( + [ + i * aa_waters.box.Lx, + j * aa_waters.box.Ly, + k * aa_waters.box.Lz, + ] + ) + if all(water.pos + shift < (box.lengths - edges)): + if mask is not None: + particles = [p for p in water.particles()] + status = True + + # note this could be sped up using a cell list + # will have to wait until that PR is merged + for p1, p2 in itertools.product(particles, p_mask): + dist = np.linalg.norm(p1.pos - p2.pos) + + if p1.name in radii_dict: + c1 = radii_scaling * radii_dict[p1.name] + elif p1.element is not None: + c1 = ( + radii_scaling + * p1.element.radius_alvarez + / 10.0 + ) + else: + c1 = radii_scaling * radii_overlap + + if p2.name in radii_dict: + c2 = radii_scaling * radii_dict[p2.name] + elif p2.element is not None: + c2 = ( + radii_scaling + * p2.element.radius_alvarez + / 10.0 + ) + else: + c2 = radii_scaling * radii_overlap + + cut_value = c1 + c2 + if dist <= cut_value: + status = False + if status: + temp = clone(water) + temp.translate(shift) + water_system_list.append(temp) + else: + temp = clone(water) + temp.translate(shift) + water_system_list.append(temp) + + # add to the Compound and set box size + self.add(water_system_list) + self.box = box diff --git a/mbuild/lib/recipes/water_proto.gro b/mbuild/lib/recipes/water_proto.gro new file mode 100644 index 000000000..0225bf079 --- /dev/null +++ b/mbuild/lib/recipes/water_proto.gro @@ -0,0 +1,6411 @@ +small_water + 6408 + 1SOL OW 1 2.565 2.617 0.869 -0.3958 -0.0404 0.9445 + 1SOL HW1 2 2.506 2.608 0.793 -1.2486 0.1565 1.5766 + 1SOL HW2 3 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2.758 2.249 0.829 -1.0371 1.1178 -1.0737 + 639SOL HW2 1917 2.733 2.181 0.962 -0.6175 2.3783 -0.3432 + 640SOL OW 1918 1.052 1.516 1.468 0.1049 0.1751 0.6863 + 640SOL HW1 1919 1.036 1.431 1.509 2.8405 -0.3713 0.7364 + 640SOL HW2 1920 0.978 1.529 1.409 0.1988 -2.7538 -0.1264 + 641SOL OW 1921 2.753 2.522 0.611 -0.4829 -0.2506 0.1656 + 641SOL HW1 1922 2.698 2.575 0.669 -0.2750 1.7028 -1.3633 + 641SOL HW2 1923 2.792 2.456 0.669 -1.6840 0.5197 1.9046 + 642SOL OW 1924 0.122 3.072 0.323 -0.5004 0.2659 0.0687 + 642SOL HW1 1925 0.135 3.014 0.398 0.7349 1.9342 1.1812 + 642SOL HW2 1926 0.138 3.160 0.358 -0.1973 1.0870 -2.0838 + 643SOL OW 1927 1.655 2.051 0.042 0.0137 -0.1514 0.1324 + 643SOL HW1 1928 1.650 2.146 0.037 0.7118 -0.1065 0.1812 + 643SOL HW2 1929 1.575 2.025 0.087 0.5231 0.5330 1.4632 + 644SOL OW 1930 1.320 3.327 1.055 -0.0126 0.1975 0.1002 + 644SOL HW1 1931 1.264 3.379 1.112 -0.2135 -0.1698 0.2387 + 644SOL HW2 1932 1.289 3.237 1.066 -0.4125 0.1896 -0.9893 + 645SOL OW 1933 1.767 2.777 1.264 0.1000 -0.5614 -0.0890 + 645SOL HW1 1934 1.688 2.808 1.310 0.2112 -0.4939 0.0556 + 645SOL HW2 1935 1.802 2.856 1.222 0.7133 -0.3767 0.7655 + 646SOL OW 1936 0.113 2.475 3.308 0.2806 0.1836 0.0763 + 646SOL HW1 1937 0.151 2.387 3.310 -1.2189 -0.4811 0.0566 + 646SOL HW2 1938 0.138 2.510 3.223 1.1516 -0.0944 0.2080 + 647SOL OW 1939 1.666 1.673 1.386 -0.6596 0.3587 0.1334 + 647SOL HW1 1940 1.713 1.756 1.389 1.9238 -1.0598 0.7114 + 647SOL HW2 1941 1.583 1.691 1.429 0.0595 2.5233 0.6866 + 648SOL OW 1942 2.537 2.300 0.615 0.0081 0.0479 -0.2893 + 648SOL HW1 1943 2.559 2.389 0.589 0.1422 -0.4971 -2.1513 + 648SOL HW2 1944 2.619 2.251 0.605 -0.7443 -0.9055 -2.2761 + 649SOL OW 1945 1.567 0.101 0.635 -0.3190 -0.2631 -0.2936 + 649SOL HW1 1946 1.656 0.113 0.602 0.0906 0.0207 0.8959 + 649SOL HW2 1947 1.537 0.190 0.655 0.1267 -0.5540 1.8443 + 650SOL OW 1948 0.565 2.701 2.484 0.2359 -0.1217 0.3148 + 650SOL HW1 1949 0.591 2.792 2.470 -0.5113 0.0768 0.1684 + 650SOL HW2 1950 0.469 2.704 2.489 0.1209 -1.0666 -0.9604 + 651SOL OW 1951 2.974 3.562 3.905 -0.3613 0.1304 -0.0373 + 651SOL HW1 1952 2.965 3.636 3.965 -0.2872 -0.0723 0.2325 + 651SOL HW2 1953 2.987 3.487 3.964 2.3897 0.3136 -0.3545 + 652SOL OW 1954 2.727 3.795 2.241 0.0669 0.5666 0.2535 + 652SOL HW1 1955 2.654 3.806 2.180 1.4583 0.8025 -1.3925 + 652SOL HW2 1956 2.751 3.703 2.233 1.4790 1.0257 -0.9964 + 653SOL OW 1957 2.012 3.412 0.973 0.2614 -0.3838 0.0532 + 653SOL HW1 1958 2.027 3.323 1.006 -1.0018 -0.8546 -0.6119 + 653SOL HW2 1959 1.928 3.407 0.927 0.5639 0.9692 -0.6772 + 654SOL OW 1960 2.600 3.171 0.920 0.5322 0.0733 -0.2006 + 654SOL HW1 1961 2.553 3.184 0.838 -1.2122 0.3783 0.8233 + 654SOL HW2 1962 2.588 3.254 0.967 -1.5319 -1.3139 1.8486 + 655SOL OW 1963 1.004 3.538 3.776 0.0236 -0.0486 -0.0733 + 655SOL HW1 1964 0.968 3.591 3.847 -0.4379 -2.0908 1.2493 + 655SOL HW2 1965 1.081 3.496 3.813 0.5022 -0.1637 -1.1725 + 656SOL OW 1966 3.440 3.031 1.043 0.3446 0.0094 0.8037 + 656SOL HW1 1967 3.369 3.028 0.979 1.2333 -1.9275 -0.1205 + 656SOL HW2 1968 3.407 3.088 1.113 -1.1857 1.0152 -0.7030 + 657SOL OW 1969 1.258 1.514 0.437 0.9141 -0.0090 0.3175 + 657SOL HW1 1970 1.183 1.455 0.428 2.0974 -1.2642 -1.9141 + 657SOL HW2 1971 1.302 1.485 0.517 0.2095 -0.6690 0.4696 + 658SOL OW 1972 3.578 2.210 0.578 0.1894 -0.0260 0.3961 + 658SOL HW1 1973 3.670 2.208 0.603 0.5712 1.6933 -0.8142 + 658SOL HW2 1974 3.579 2.221 0.483 -1.2598 -0.4069 0.3294 + 659SOL OW 1975 2.934 2.139 2.018 0.9923 -0.1209 0.0098 + 659SOL HW1 1976 2.856 2.168 2.066 0.3775 -0.6347 -0.6541 + 659SOL HW2 1977 2.905 2.132 1.927 2.2500 1.1989 -0.5022 + 660SOL OW 1978 0.675 2.938 0.450 0.1128 0.5038 0.0402 + 660SOL HW1 1979 0.745 2.995 0.481 2.1855 -2.3545 0.9385 + 660SOL HW2 1980 0.663 2.875 0.521 -0.9257 -1.1524 -1.5589 + 661SOL OW 1981 0.743 1.858 1.697 0.5140 -0.6529 -0.2736 + 661SOL HW1 1982 0.673 1.818 1.749 -0.3290 0.3124 -0.6468 + 661SOL HW2 1983 0.803 1.893 1.763 -1.2069 1.7195 0.1322 + 662SOL OW 1984 1.476 3.125 3.908 -0.7366 0.4822 0.0022 + 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816SOL HW2 2448 1.524 2.611 1.678 2.3865 1.7138 -1.2910 + 817SOL OW 2449 2.265 3.126 2.659 0.0624 0.8463 0.4880 + 817SOL HW1 2450 2.269 3.202 2.602 1.4017 0.6814 0.3381 + 817SOL HW2 2451 2.253 3.052 2.600 1.7159 0.6470 0.3657 + 818SOL OW 2452 1.859 2.263 3.464 -0.1504 -0.0322 0.3180 + 818SOL HW1 2453 1.867 2.352 3.432 -1.0313 -0.0210 0.1387 + 818SOL HW2 2454 1.947 2.242 3.497 0.1096 0.8221 0.1815 + 819SOL OW 2455 3.606 1.281 0.623 0.8790 -0.2752 -0.1333 + 819SOL HW1 2456 3.621 1.291 0.717 1.8839 2.7560 -0.5740 + 819SOL HW2 2457 3.693 1.267 0.586 0.3212 -3.2224 -0.4763 + 820SOL OW 2458 0.291 2.229 3.678 -0.0440 0.1725 0.0990 + 820SOL HW1 2459 0.244 2.241 3.761 0.4957 -0.4887 0.5117 + 820SOL HW2 2460 0.315 2.318 3.651 -1.3940 0.4935 -0.0364 + 821SOL OW 2461 3.928 1.481 2.264 0.2918 0.5847 -0.8896 + 821SOL HW1 2462 3.871 1.486 2.187 -2.1543 -0.4105 0.8315 + 821SOL HW2 2463 3.997 1.420 2.238 -1.9149 -1.7498 -1.4310 + 822SOL OW 2464 1.305 0.246 3.008 0.3880 -0.1837 0.1285 + 822SOL HW1 2465 1.224 0.292 3.031 -0.3400 -0.9727 -0.8347 + 822SOL HW2 2466 1.278 0.156 2.991 1.3599 -0.3099 -0.8439 + 823SOL OW 2467 1.599 2.851 0.929 0.6239 -0.5295 -0.0210 + 823SOL HW1 2468 1.691 2.864 0.953 1.2628 -1.9275 -1.5907 + 823SOL HW2 2469 1.599 2.860 0.833 -0.8651 -0.6140 -0.0288 + 824SOL OW 2470 0.376 3.942 3.522 0.8288 0.1657 -0.1847 + 824SOL HW1 2471 0.367 3.848 3.537 -1.2329 0.0641 -1.7497 + 824SOL HW2 2472 0.351 3.983 3.605 -3.0582 -0.5700 -0.9079 + 825SOL OW 2473 1.254 3.227 0.097 -0.1772 0.1939 0.0111 + 825SOL HW1 2474 1.160 3.218 0.114 -0.4263 -0.8953 -1.8070 + 825SOL HW2 2475 1.290 3.140 0.109 0.5928 0.5783 0.5620 + 826SOL OW 2476 0.321 1.607 1.210 -0.4168 0.2581 -0.4388 + 826SOL HW1 2477 0.336 1.513 1.203 -1.9980 -0.0036 -0.3607 + 826SOL HW2 2478 0.338 1.627 1.302 0.3108 0.1239 -0.5423 + 827SOL OW 2479 0.789 2.875 1.843 -0.0240 -0.7622 0.2440 + 827SOL HW1 2480 0.811 2.968 1.840 0.3076 -0.7833 1.6701 + 827SOL HW2 2481 0.777 2.857 1.936 -0.8647 -1.9703 -0.0914 + 828SOL OW 2482 1.779 1.017 1.345 -0.1204 0.3174 -0.3731 + 828SOL HW1 2483 1.815 0.999 1.432 -0.4146 0.2212 -0.2710 + 828SOL HW2 2484 1.833 1.088 1.311 -0.9482 1.3783 0.4854 + 829SOL OW 2485 1.038 3.481 3.015 0.0655 -0.0182 -0.4950 + 829SOL HW1 2486 1.120 3.440 2.988 0.2872 0.7948 -1.0633 + 829SOL HW2 2487 0.972 3.414 3.002 0.9415 -1.4429 2.0440 + 830SOL OW 2488 2.966 2.946 2.344 -0.2460 -0.4255 0.5069 + 830SOL HW1 2489 2.974 2.900 2.427 2.2730 1.1729 1.1951 + 830SOL HW2 2490 2.953 2.876 2.279 -1.5591 -1.7208 2.1351 + 831SOL OW 2491 3.760 1.491 1.414 -0.0824 -0.1063 -0.5386 + 831SOL HW1 2492 3.742 1.402 1.384 0.5421 -0.1468 -0.8170 + 831SOL HW2 2493 3.791 1.537 1.336 -0.5977 0.4131 -0.4425 + 832SOL OW 2494 1.869 2.939 0.176 0.0054 0.2486 -0.0727 + 832SOL HW1 2495 1.907 3.009 0.122 2.5301 0.0521 1.3664 + 832SOL HW2 2496 1.890 2.964 0.266 -0.2664 -1.6677 0.5516 + 833SOL OW 2497 1.361 2.289 2.707 0.2725 -0.2680 0.5428 + 833SOL HW1 2498 1.451 2.257 2.711 -0.2312 -1.6393 1.4193 + 833SOL HW2 2499 1.309 2.219 2.747 -1.2138 0.3957 -0.1968 + 834SOL OW 2500 1.061 1.971 3.482 -0.0507 0.1053 -0.1528 + 834SOL HW1 2501 1.099 1.983 3.569 -0.8138 0.2915 0.1590 + 834SOL HW2 2502 0.968 1.986 3.494 -0.2427 -0.4509 -0.8933 + 835SOL OW 2503 0.334 1.434 3.735 0.0174 0.2650 0.3207 + 835SOL HW1 2504 0.317 1.348 3.773 0.0917 0.0362 -0.1585 + 835SOL HW2 2505 0.261 1.488 3.764 0.8339 0.4999 2.0373 + 836SOL OW 2506 3.331 3.170 3.663 -0.0906 -0.2751 -0.1846 + 836SOL HW1 2507 3.305 3.077 3.669 -0.8662 0.0746 2.7497 + 836SOL HW2 2508 3.418 3.173 3.703 -1.5573 0.7708 3.0903 + 837SOL OW 2509 0.557 2.357 0.528 0.2300 -0.0058 0.3762 + 837SOL HW1 2510 0.508 2.324 0.604 1.4397 -1.7708 0.4032 + 837SOL HW2 2511 0.499 2.341 0.454 -0.7794 1.3325 0.8469 + 838SOL OW 2512 3.022 2.673 1.932 0.1360 0.4559 0.3012 + 838SOL HW1 2513 2.938 2.627 1.930 0.4179 -0.1277 1.5795 + 838SOL HW2 2514 3.079 2.623 1.873 -0.4799 1.0111 -0.7848 + 839SOL OW 2515 3.912 1.913 0.065 -0.3163 0.4325 1.0420 + 839SOL HW1 2516 3.947 1.877 0.146 -0.0491 -1.2141 0.2263 + 839SOL HW2 2517 3.985 1.907 0.003 -0.4599 1.8369 0.7177 + 840SOL OW 2518 1.809 3.701 2.677 -0.1299 0.0204 -0.2324 + 840SOL HW1 2519 1.811 3.770 2.743 -0.9526 0.3163 -0.5148 + 840SOL HW2 2520 1.891 3.653 2.690 0.4540 1.0536 -0.0470 + 841SOL OW 2521 2.692 1.930 1.259 0.2445 -1.0733 -0.6283 + 841SOL HW1 2522 2.603 1.923 1.293 0.7756 -2.3012 0.5534 + 841SOL HW2 2523 2.703 2.023 1.241 -0.7757 -0.6916 0.6175 + 842SOL OW 2524 0.380 3.191 2.849 -0.0423 0.0307 0.1505 + 842SOL HW1 2525 0.440 3.116 2.849 1.1120 0.8622 -2.6488 + 842SOL HW2 2526 0.311 3.166 2.788 0.0950 1.0094 -0.4285 + 843SOL OW 2527 1.586 2.919 2.267 -0.4591 0.1186 -0.0974 + 843SOL HW1 2528 1.578 2.961 2.353 -0.5342 2.6530 -1.2942 + 843SOL HW2 2529 1.532 2.841 2.273 -3.2711 2.0707 1.0746 + 844SOL OW 2530 3.169 2.040 1.876 0.0005 0.2375 0.0180 + 844SOL HW1 2531 3.104 2.087 1.928 0.0521 1.6852 -1.2048 + 844SOL HW2 2532 3.118 1.978 1.823 -0.3744 1.2734 -0.8370 + 845SOL OW 2533 1.485 0.335 1.491 0.1591 -0.0579 0.4021 + 845SOL HW1 2534 1.390 0.347 1.494 0.2181 0.1253 2.6340 + 845SOL HW2 2535 1.520 0.408 1.542 1.3311 -1.6380 1.9093 + 846SOL OW 2536 2.971 1.984 0.757 -0.0922 0.3749 -0.3466 + 846SOL HW1 2537 2.879 2.011 0.754 -0.2691 -0.1588 0.3184 + 846SOL HW2 2538 3.010 2.042 0.822 -0.0885 0.2000 -0.1944 + 847SOL OW 2539 2.095 2.530 2.372 -0.1545 0.0563 -0.2175 + 847SOL HW1 2540 2.111 2.618 2.338 -1.8283 0.5315 0.1262 + 847SOL HW2 2541 2.032 2.544 2.444 1.4338 -1.1647 1.4525 + 848SOL OW 2542 1.362 2.867 3.594 -0.0235 0.2357 0.4315 + 848SOL HW1 2543 1.292 2.898 3.537 -1.1859 -0.6831 1.3332 + 848SOL HW2 2544 1.396 2.789 3.549 0.2176 0.5083 0.1413 + 849SOL OW 2545 3.920 2.757 2.518 0.3910 0.5247 0.2410 + 849SOL HW1 2546 3.938 2.849 2.496 -2.6974 1.4633 1.4256 + 849SOL HW2 2547 3.898 2.759 2.611 -0.5113 -1.3182 0.0710 + 850SOL OW 2548 1.847 2.535 1.352 -0.1513 -0.2678 0.3339 + 850SOL HW1 2549 1.825 2.625 1.328 0.2558 0.3514 2.2286 + 850SOL HW2 2550 1.899 2.504 1.278 0.6174 1.4125 0.1298 + 851SOL OW 2551 3.040 0.083 1.363 0.7526 0.1651 -0.2357 + 851SOL HW1 2552 2.955 0.052 1.333 0.1850 -0.2028 1.6462 + 851SOL HW2 2553 3.102 0.016 1.336 0.0737 -0.7835 0.5187 + 852SOL OW 2554 0.701 3.196 3.329 0.4541 -0.0471 -0.0645 + 852SOL HW1 2555 0.612 3.218 3.299 0.9492 0.9276 -0.8147 + 852SOL HW2 2556 0.750 3.277 3.321 2.1544 -1.2548 -2.3303 + 853SOL OW 2557 1.158 0.477 1.876 0.0296 -0.4791 0.3066 + 853SOL HW1 2558 1.118 0.562 1.859 0.7838 -0.0180 0.7637 + 853SOL HW2 2559 1.238 0.498 1.924 0.9946 -1.3411 -0.8904 + 854SOL OW 2560 1.183 3.687 2.840 0.1012 -0.3970 0.1316 + 854SOL HW1 2561 1.131 3.762 2.810 -0.2181 -1.3958 -1.8593 + 854SOL HW2 2562 1.120 3.615 2.846 0.7901 -1.0047 0.0969 + 855SOL OW 2563 0.193 3.191 1.543 -0.1588 -0.4728 0.5403 + 855SOL HW1 2564 0.280 3.220 1.569 0.2129 -1.0424 -0.0449 + 855SOL HW2 2565 0.209 3.112 1.491 -0.9913 -0.3485 0.0855 + 856SOL OW 2566 1.172 3.880 3.571 0.1728 0.1038 0.2076 + 856SOL HW1 2567 1.221 3.917 3.498 -0.4586 -1.1447 -0.8703 + 856SOL HW2 2568 1.240 3.855 3.635 0.7442 0.9069 -0.0807 + 857SOL OW 2569 0.358 1.181 3.826 -0.1273 -0.5160 -0.8149 + 857SOL HW1 2570 0.327 1.092 3.808 -1.3730 -0.4102 0.6625 + 857SOL HW2 2571 0.359 1.187 3.921 1.7530 0.4509 -0.8832 + 858SOL OW 2572 0.638 0.835 0.966 0.2085 -0.5516 -0.1393 + 858SOL HW1 2573 0.638 0.763 1.029 -0.0683 2.0708 3.0035 + 858SOL HW2 2574 0.730 0.849 0.945 0.4031 -0.7760 0.5337 + 859SOL OW 2575 0.947 1.955 1.898 0.8024 -0.1162 0.1308 + 859SOL HW1 2576 1.009 1.883 1.906 1.0132 -0.0940 -1.1865 + 859SOL HW2 2577 0.988 2.028 1.944 1.0257 -0.5694 0.6416 + 860SOL OW 2578 2.040 3.775 2.483 -0.2085 -0.1258 -0.0559 + 860SOL HW1 2579 1.979 3.753 2.552 -0.3550 0.5796 0.0512 + 860SOL HW2 2580 2.105 3.705 2.483 0.9875 0.9368 2.2224 + 861SOL OW 2581 1.723 3.263 0.460 -0.2411 -0.2423 0.5391 + 861SOL HW1 2582 1.636 3.278 0.498 -0.4291 -0.4581 0.2045 + 861SOL HW2 2583 1.705 3.247 0.367 0.0208 -1.7260 0.7259 + 862SOL OW 2584 1.119 3.247 2.215 0.1063 -0.2508 0.0318 + 862SOL HW1 2585 1.093 3.326 2.166 1.7522 -0.8169 -1.8294 + 862SOL HW2 2586 1.205 3.268 2.251 1.0558 -1.5569 -1.4036 + 863SOL OW 2587 1.721 3.131 3.049 0.0600 -0.0550 -0.1570 + 863SOL HW1 2588 1.689 3.155 2.962 0.5758 3.1167 0.4413 + 863SOL HW2 2589 1.643 3.107 3.099 -0.6185 1.1751 -0.6110 + 864SOL OW 2590 0.542 0.127 2.493 -0.2231 -0.1628 -0.2110 + 864SOL HW1 2591 0.490 0.099 2.568 0.1276 0.5681 0.3194 + 864SOL HW2 2592 0.514 0.070 2.421 1.2789 -2.5927 1.0704 + 865SOL OW 2593 3.130 3.678 1.578 0.3658 -0.5564 0.1062 + 865SOL HW1 2594 3.146 3.737 1.653 -0.9261 -1.1565 0.8712 + 865SOL HW2 2595 3.213 3.631 1.568 1.7568 2.0018 -1.1091 + 866SOL OW 2596 1.041 3.711 0.775 -0.0016 -0.2133 0.0759 + 866SOL HW1 2597 1.105 3.736 0.708 -2.1288 -0.0828 -1.9696 + 866SOL HW2 2598 1.062 3.620 0.796 0.6082 -0.3051 -0.8974 + 867SOL OW 2599 1.220 3.217 3.014 0.2801 0.2310 0.0735 + 867SOL HW1 2600 1.291 3.278 3.032 1.6964 -1.4539 0.2776 + 867SOL HW2 2601 1.247 3.172 2.934 -0.3635 -0.7093 0.3809 + 868SOL OW 2602 -0.006 3.559 0.163 -0.0272 -0.3320 0.1187 + 868SOL HW1 2603 0.058 3.627 0.144 1.1308 -1.3056 0.4807 + 868SOL HW2 2604 -0.027 3.521 0.077 -0.0967 -0.0438 0.0075 + 869SOL OW 2605 1.436 2.407 0.383 0.4769 0.5033 0.1885 + 869SOL HW1 2606 1.406 2.328 0.426 -0.7212 0.5948 -0.4581 + 869SOL HW2 2607 1.438 2.473 0.453 -1.8334 0.7515 0.0357 + 870SOL OW 2608 3.833 3.170 0.603 0.0549 -0.5202 0.2765 + 870SOL HW1 2609 3.871 3.257 0.611 -0.5448 -0.2775 0.5351 + 870SOL HW2 2610 3.908 3.112 0.589 0.6055 -0.1757 1.6908 + 871SOL OW 2611 1.884 3.005 2.238 -0.6592 0.4384 -0.1537 + 871SOL HW1 2612 1.808 2.986 2.182 -0.9530 0.0012 0.3883 + 871SOL HW2 2613 1.934 3.071 2.189 -0.5797 -0.4123 -1.2193 + 872SOL OW 2614 2.204 3.897 2.821 0.1642 0.0546 -0.3268 + 872SOL HW1 2615 2.254 3.899 2.902 -1.2946 -1.3285 0.6277 + 872SOL HW2 2616 2.237 3.820 2.774 -2.6741 -2.3447 1.4155 + 873SOL OW 2617 1.843 2.229 0.740 -0.0346 0.0695 -0.0833 + 873SOL HW1 2618 1.877 2.140 0.740 1.3798 0.5851 0.5119 + 873SOL HW2 2619 1.792 2.236 0.820 -0.5644 -0.3528 -0.3814 + 874SOL OW 2620 1.756 1.341 2.537 -0.2838 0.1442 0.1481 + 874SOL HW1 2621 1.684 1.376 2.485 -0.1371 1.4594 0.8111 + 874SOL HW2 2622 1.718 1.265 2.582 -1.1734 0.6644 0.2883 + 875SOL OW 2623 1.551 1.933 3.784 -0.0705 -0.1526 0.1045 + 875SOL HW1 2624 1.536 1.972 3.870 -0.6509 0.4112 -0.2457 + 875SOL HW2 2625 1.627 1.980 3.750 -0.2479 0.0854 0.0358 + 876SOL OW 2626 0.614 2.527 3.062 0.0037 0.1611 0.4795 + 876SOL HW1 2627 0.630 2.506 3.153 -0.4103 0.5135 0.6365 + 876SOL HW2 2628 0.664 2.462 3.012 1.2968 0.7682 0.9546 + 877SOL OW 2629 0.845 3.450 3.558 0.0105 -0.2805 0.1638 + 877SOL HW1 2630 0.899 3.415 3.487 -0.9381 -0.6346 -0.3947 + 877SOL HW2 2631 0.907 3.497 3.614 0.9408 -0.9380 -0.2961 + 878SOL OW 2632 0.906 3.609 1.871 -0.2080 0.2652 0.1773 + 878SOL HW1 2633 0.819 3.577 1.848 0.1526 0.8406 -2.0289 + 878SOL HW2 2634 0.898 3.704 1.875 0.4547 0.3594 -0.6092 + 879SOL OW 2635 2.104 1.762 2.539 0.4374 -0.2680 0.2266 + 879SOL HW1 2636 2.033 1.706 2.509 0.8461 -1.5863 1.7161 + 879SOL HW2 2637 2.071 1.851 2.526 -1.1194 -0.8627 0.0417 + 880SOL OW 2638 1.645 0.158 1.647 -0.1422 0.3056 0.2486 + 880SOL HW1 2639 1.602 0.207 1.577 1.0679 -0.1056 -0.8080 + 880SOL HW2 2640 1.706 0.221 1.686 -0.6917 0.4844 0.8238 + 881SOL OW 2641 3.304 0.936 3.096 0.4019 0.1754 0.5695 + 881SOL HW1 2642 3.218 0.978 3.087 -0.1993 -1.1476 -0.0627 + 881SOL HW2 2643 3.284 0.844 3.111 1.7143 -0.0063 1.2728 + 882SOL OW 2644 0.824 1.778 2.410 0.3521 -0.3269 0.0561 + 882SOL HW1 2645 0.918 1.779 2.393 0.2650 1.7417 -0.4013 + 882SOL HW2 2646 0.816 1.801 2.503 0.2915 -0.3907 0.0673 + 883SOL OW 2647 3.179 0.505 2.482 -0.4428 -0.5195 -0.3197 + 883SOL HW1 2648 3.224 0.423 2.500 -1.4570 -1.0403 -0.1172 + 883SOL HW2 2649 3.134 0.490 2.398 0.2762 0.2142 -0.8449 + 884SOL OW 2650 1.752 3.559 2.425 -0.5589 0.4014 -0.2666 + 884SOL HW1 2651 1.685 3.616 2.386 -1.1381 0.5681 0.9673 + 884SOL HW2 2652 1.751 3.580 2.518 -1.2865 -2.1564 0.3331 + 885SOL OW 2653 0.520 3.412 2.942 -0.2858 0.2136 0.3797 + 885SOL HW1 2654 0.462 3.339 2.918 -0.8704 0.7968 0.0041 + 885SOL HW2 2655 0.462 3.488 2.947 0.5970 0.9981 -0.9180 + 886SOL OW 2656 1.225 2.164 2.445 0.3650 0.7577 0.3058 + 886SOL HW1 2657 1.174 2.227 2.395 0.7991 -0.1564 -1.3318 + 886SOL HW2 2658 1.160 2.102 2.478 0.0737 1.3704 0.8886 + 887SOL OW 2659 1.998 3.384 2.050 0.4961 0.3193 -0.2308 + 887SOL HW1 2660 1.934 3.452 2.030 -0.1935 -1.1284 -3.2050 + 887SOL HW2 2661 2.057 3.383 1.974 1.4663 -1.2710 0.5162 + 888SOL OW 2662 0.359 3.473 3.773 -0.6249 -0.2739 -0.2632 + 888SOL HW1 2663 0.296 3.420 3.821 -0.5181 1.0401 1.3880 + 888SOL HW2 2664 0.438 3.472 3.828 -0.1066 0.3062 -0.9823 + 889SOL OW 2665 3.495 1.313 1.887 -0.6354 -0.1318 0.1137 + 889SOL HW1 2666 3.430 1.248 1.859 -1.0093 0.5184 -0.5246 + 889SOL HW2 2667 3.560 1.314 1.816 -0.2370 -0.3475 0.4724 + 890SOL OW 2668 0.588 3.513 3.510 -0.6250 -0.4431 0.3944 + 890SOL HW1 2669 0.679 3.486 3.525 -0.1535 0.7590 -0.2133 + 890SOL HW2 2670 0.579 3.511 3.414 -1.1603 -0.3025 0.4434 + 891SOL OW 2671 3.410 2.689 2.699 0.1331 0.2488 0.3386 + 891SOL HW1 2672 3.406 2.611 2.643 0.4059 -0.7802 1.7182 + 891SOL HW2 2673 3.407 2.654 2.788 0.1577 1.8368 0.9717 + 892SOL OW 2674 0.940 3.449 2.467 -0.0357 -0.4037 0.1666 + 892SOL HW1 2675 0.892 3.374 2.433 -1.5855 0.2317 0.9049 + 892SOL HW2 2676 0.954 3.504 2.390 0.1494 -0.9432 -0.1864 + 893SOL OW 2677 0.490 0.838 2.275 -0.0544 -0.7939 -0.0729 + 893SOL HW1 2678 0.562 0.895 2.302 0.3861 -1.8177 1.0034 + 893SOL HW2 2679 0.503 0.825 2.182 0.8077 -0.4784 -0.0056 + 894SOL OW 2680 3.614 3.639 2.902 0.2688 0.0153 -0.2636 + 894SOL HW1 2681 3.528 3.679 2.911 0.7007 1.0832 -0.8434 + 894SOL HW2 2682 3.666 3.703 2.853 1.4498 -0.5283 0.2558 + 895SOL OW 2683 0.473 3.444 2.240 -0.2451 -0.5052 0.3648 + 895SOL HW1 2684 0.459 3.381 2.311 -1.9337 -0.3428 0.1975 + 895SOL HW2 2685 0.502 3.390 2.166 0.0021 -0.8635 0.7165 + 896SOL OW 2686 1.355 -0.011 1.600 -0.5791 -0.2096 -0.3186 + 896SOL HW1 2687 1.319 0.077 1.589 0.6473 0.2634 -0.7449 + 896SOL HW2 2688 1.450 0.003 1.607 -0.3164 -1.5502 -1.0088 + 897SOL OW 2689 1.516 2.038 0.640 0.4077 0.3550 -0.3818 + 897SOL HW1 2690 1.561 2.052 0.557 -0.3960 0.6665 -0.7703 + 897SOL HW2 2691 1.491 1.945 0.638 -2.1953 1.0399 -1.8086 + 898SOL OW 2692 0.672 0.466 0.633 0.2965 0.8589 -0.0018 + 898SOL HW1 2693 0.657 0.552 0.592 1.0642 1.2671 0.5479 + 898SOL HW2 2694 0.681 0.406 0.560 -0.1998 1.2581 -0.3985 + 899SOL OW 2695 1.107 0.803 3.351 -0.3780 -0.2606 0.2408 + 899SOL HW1 2696 1.202 0.801 3.341 -0.5165 1.7040 -1.6754 + 899SOL HW2 2697 1.080 0.712 3.334 1.0585 -0.6297 -0.1799 + 900SOL OW 2698 0.810 0.982 2.699 -0.1182 -0.3040 0.5478 + 900SOL HW1 2699 0.780 1.013 2.784 0.0562 0.5058 0.3261 + 900SOL HW2 2700 0.751 1.024 2.636 1.0634 0.8072 0.1478 + 901SOL OW 2701 3.397 2.337 1.413 -0.2779 -0.2495 -1.0181 + 901SOL HW1 2702 3.454 2.269 1.449 0.4269 1.6132 1.5099 + 901SOL HW2 2703 3.428 2.348 1.323 2.6578 -0.0633 -0.0570 + 902SOL OW 2704 1.003 2.719 3.174 -0.0853 0.1029 -0.1426 + 902SOL HW1 2705 1.093 2.694 3.152 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0.3429 0.0958 + 908SOL HW1 2723 0.167 1.353 3.585 -0.0805 -2.0080 -0.8168 + 908SOL HW2 2724 0.039 1.398 3.517 0.3649 -0.4274 -0.6392 + 909SOL OW 2725 0.975 1.166 1.977 0.3715 -0.2757 -0.3263 + 909SOL HW1 2726 1.069 1.175 1.993 0.1309 0.1423 0.8861 + 909SOL HW2 2727 0.950 1.086 2.023 0.1574 -0.4815 -0.7933 + 910SOL OW 2728 1.408 3.413 0.212 0.1532 -0.0726 0.2911 + 910SOL HW1 2729 1.362 3.351 0.155 0.3827 0.0498 -0.0266 + 910SOL HW2 2730 1.499 3.385 0.210 0.2570 0.2693 0.1491 + 911SOL OW 2731 3.461 0.702 0.909 0.5097 -0.1754 0.4047 + 911SOL HW1 2732 3.383 0.667 0.867 0.6068 0.0917 -0.0033 + 911SOL HW2 2733 3.451 0.797 0.902 0.6681 -0.1381 0.7204 + 912SOL OW 2734 0.463 3.009 0.236 0.5611 0.2809 0.1207 + 912SOL HW1 2735 0.404 2.934 0.224 1.0292 0.0972 -1.0515 + 912SOL HW2 2736 0.503 2.993 0.321 -2.0350 1.0739 1.5682 + 913SOL OW 2737 0.130 2.078 0.635 -0.1931 0.2494 -0.8089 + 913SOL HW1 2738 0.186 2.000 0.640 -2.5964 -1.4061 1.2127 + 913SOL HW2 2739 0.131 2.103 0.543 1.9982 -1.1130 -1.1902 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OW 2860 1.111 2.358 0.386 -0.5141 -0.4657 0.5165 + 954SOL HW1 2861 1.016 2.351 0.386 -0.5589 0.1099 -0.6721 + 954SOL HW2 2862 1.131 2.416 0.460 -1.1267 -0.1583 0.4413 + 955SOL OW 2863 1.952 3.250 1.728 0.2951 -0.3143 0.0626 + 955SOL HW1 2864 1.922 3.160 1.712 -2.2434 0.3730 0.8279 + 955SOL HW2 2865 1.898 3.304 1.670 -0.2808 0.9967 1.7961 + 956SOL OW 2866 2.142 2.810 0.142 -0.3601 -0.0660 -0.4163 + 956SOL HW1 2867 2.168 2.885 0.089 -0.0814 -1.1395 -1.8165 + 956SOL HW2 2868 2.047 2.819 0.152 -0.2500 0.7749 -0.0934 + 957SOL OW 2869 0.296 1.901 1.562 -0.1170 0.5448 -0.4242 + 957SOL HW1 2870 0.258 1.974 1.512 -1.0088 1.2313 1.2013 + 957SOL HW2 2871 0.387 1.927 1.578 0.0554 0.5045 -1.3350 + 958SOL OW 2872 0.886 0.013 2.523 0.1763 0.1238 -0.4591 + 958SOL HW1 2873 0.822 0.011 2.452 0.2338 0.7995 -0.5350 + 958SOL HW2 2874 0.834 0.013 2.603 0.0002 2.8451 -0.5338 + 959SOL OW 2875 0.269 1.723 3.514 -0.3568 0.4670 0.3412 + 959SOL HW1 2876 0.264 1.819 3.522 -2.0182 0.3778 0.4468 + 959SOL HW2 2877 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+ 1196SOL HW2 3588 1.051 0.638 2.570 -0.7365 -0.7549 -0.4901 + 1197SOL OW 3589 2.340 0.110 0.420 0.7565 -0.3814 0.2588 + 1197SOL HW1 3590 2.267 0.055 0.449 -0.7535 1.7372 0.5661 + 1197SOL HW2 3591 2.370 0.153 0.500 1.5613 -0.3296 -0.0742 + 1198SOL OW 3592 3.637 2.950 0.870 0.3519 0.0301 1.0713 + 1198SOL HW1 3593 3.575 2.932 0.798 1.9427 0.1986 -0.3735 + 1198SOL HW2 3594 3.581 2.973 0.944 -1.3428 -0.2679 -0.0714 + 1199SOL OW 3595 0.318 0.076 3.763 0.6174 -0.0303 0.0545 + 1199SOL HW1 3596 0.238 0.080 3.815 1.6325 -0.6632 1.6886 + 1199SOL HW2 3597 0.378 0.137 3.806 0.5204 1.6578 -2.0839 + 1200SOL OW 3598 1.749 2.742 3.762 -0.0504 -0.1747 0.2228 + 1200SOL HW1 3599 1.698 2.773 3.837 0.2053 -1.7908 1.0889 + 1200SOL HW2 3600 1.838 2.731 3.797 -0.0586 -1.5027 -0.1762 + 1201SOL OW 3601 1.629 2.612 1.817 0.3030 -0.0437 0.1611 + 1201SOL HW1 3602 1.671 2.658 1.890 -0.1572 1.5477 -0.5544 + 1201SOL HW2 3603 1.672 2.527 1.815 0.7222 0.1019 1.9314 + 1202SOL OW 3604 0.687 2.066 0.451 0.2736 0.4340 0.2398 + 1202SOL HW1 3605 0.627 2.014 0.396 1.5027 -2.3295 1.3891 + 1202SOL HW2 3606 0.640 2.075 0.534 0.3192 0.6542 0.2418 + 1203SOL OW 3607 0.144 0.572 0.224 0.3538 0.2002 0.0557 + 1203SOL HW1 3608 0.180 0.649 0.181 0.2993 1.0395 1.4708 + 1203SOL HW2 3609 0.184 0.573 0.311 -1.5224 0.0127 0.9459 + 1204SOL OW 3610 2.845 3.629 0.490 -0.3989 -0.0738 0.0228 + 1204SOL HW1 3611 2.804 3.583 0.417 0.0458 -0.7878 0.2095 + 1204SOL HW2 3612 2.924 3.578 0.509 0.6251 1.3197 -0.3923 + 1205SOL OW 3613 3.903 1.274 0.691 -0.4898 0.3138 -0.3929 + 1205SOL HW1 3614 3.984 1.249 0.736 0.2283 0.4735 -1.5868 + 1205SOL HW2 3615 3.872 1.193 0.650 -2.3238 -0.3417 2.1731 + 1206SOL OW 3616 1.188 1.851 0.725 0.3923 0.5204 0.5353 + 1206SOL HW1 3617 1.219 1.900 0.802 0.1097 0.0552 0.9444 + 1206SOL HW2 3618 1.159 1.767 0.759 2.0638 -0.4356 -0.3535 + 1207SOL OW 3619 2.833 3.182 2.341 -0.3162 -0.3064 0.0919 + 1207SOL HW1 3620 2.855 3.090 2.359 -0.3393 -0.0051 1.7504 + 1207SOL HW2 3621 2.798 3.215 2.424 -0.5620 1.1346 -0.5649 + 1208SOL OW 3622 0.621 2.766 1.029 -0.3454 -0.2205 -0.1690 + 1208SOL HW1 3623 0.539 2.760 1.076 0.1651 0.1669 0.7710 + 1208SOL HW2 3624 0.660 2.848 1.058 1.2421 -1.2901 0.8210 + 1209SOL OW 3625 0.171 2.043 1.381 0.0926 0.1116 0.3638 + 1209SOL HW1 3626 0.215 2.020 1.299 -0.4490 -2.0019 0.6270 + 1209SOL HW2 3627 0.084 2.072 1.354 0.8067 1.9839 0.0166 + 1210SOL OW 3628 2.067 3.671 1.043 0.1298 0.1949 0.2332 + 1210SOL HW1 3629 2.069 3.578 1.018 0.9648 -0.2891 2.0189 + 1210SOL HW2 3630 1.985 3.682 1.090 -2.1021 1.4219 -3.7054 + 1211SOL OW 3631 2.119 3.319 0.699 0.5795 -0.1624 0.4485 + 1211SOL HW1 3632 2.126 3.369 0.618 -0.6949 1.4161 1.3078 + 1211SOL HW2 3633 2.137 3.382 0.769 0.0340 -1.1422 1.4997 + 1212SOL OW 3634 0.746 1.035 2.084 0.6779 0.5253 -0.3406 + 1212SOL HW1 3635 0.725 1.006 2.172 0.6049 -0.7280 -0.7644 + 1212SOL HW2 3636 0.703 1.120 2.076 -1.6677 -0.5998 -0.1428 + 1213SOL OW 3637 0.148 1.912 3.896 0.2357 -0.1943 0.3761 + 1213SOL HW1 3638 0.178 1.835 3.848 0.7650 -0.3243 0.9187 + 1213SOL HW2 3639 0.146 1.981 3.830 2.5069 0.0210 0.4958 + 1214SOL OW 3640 2.035 2.429 1.142 0.1774 -0.4017 -0.5568 + 1214SOL HW1 3641 2.116 2.477 1.123 -0.2592 0.5525 -0.0432 + 1214SOL HW2 3642 2.062 2.359 1.201 0.9611 -1.3053 -1.9679 + 1215SOL OW 3643 3.727 3.067 1.810 -0.2081 -0.5019 -0.9883 + 1215SOL HW1 3644 3.782 3.136 1.848 -0.5318 -0.4579 -0.5982 + 1215SOL HW2 3645 3.774 2.986 1.830 -0.0769 -0.4332 -1.0159 + 1216SOL OW 3646 1.751 0.009 3.160 -0.5170 -0.4015 0.0288 + 1216SOL HW1 3647 1.789 0.035 3.076 0.5836 0.5299 0.7888 + 1216SOL HW2 3648 1.657 0.006 3.145 -0.2469 -1.3598 -1.5290 + 1217SOL OW 3649 1.851 1.770 1.623 0.2487 -0.2957 0.6890 + 1217SOL HW1 3650 1.816 1.739 1.706 -0.2921 0.0250 0.5865 + 1217SOL HW2 3651 1.780 1.822 1.585 1.8488 2.8395 1.8378 + 1218SOL OW 3652 3.254 0.420 0.839 0.0687 0.0136 0.7014 + 1218SOL HW1 3653 3.303 0.490 0.796 -0.9093 0.6750 0.6607 + 1218SOL HW2 3654 3.162 0.444 0.828 -0.2474 -0.7609 1.5638 + 1219SOL OW 3655 2.714 0.070 0.162 -1.1125 -0.1530 0.1942 + 1219SOL HW1 3656 2.638 0.092 0.109 -1.4150 -1.9446 -0.1404 + 1219SOL HW2 3657 2.768 0.150 0.162 -1.7277 0.2786 -1.7133 + 1220SOL OW 3658 0.591 1.184 2.619 -0.0025 0.5364 -0.0233 + 1220SOL HW1 3659 0.547 1.201 2.702 -0.1880 -0.7630 0.1486 + 1220SOL HW2 3660 0.606 1.271 2.582 -3.7395 1.0128 -0.6322 + 1221SOL OW 3661 2.152 1.502 1.579 -0.0622 0.4255 -0.3427 + 1221SOL HW1 3662 2.157 1.524 1.486 -0.4387 -0.3978 -0.5638 + 1221SOL HW2 3663 2.065 1.465 1.590 0.4754 -0.7358 0.0648 + 1222SOL OW 3664 3.908 3.098 3.947 0.0057 0.3749 -0.0579 + 1222SOL HW1 3665 3.850 3.040 3.996 0.1076 -0.6002 -1.0454 + 1222SOL HW2 3666 3.993 3.055 3.951 -0.0778 0.0591 -1.4321 + 1223SOL OW 3667 0.566 0.046 0.935 0.6232 -0.4316 0.8710 + 1223SOL HW1 3668 0.599 0.133 0.915 0.7823 -0.6680 0.0587 + 1223SOL HW2 3669 0.483 0.041 0.887 1.0089 -1.0166 0.2567 + 1224SOL OW 3670 2.329 3.788 3.661 -0.5017 -0.0088 0.4094 + 1224SOL HW1 3671 2.358 3.702 3.692 0.7623 0.3728 0.3312 + 1224SOL HW2 3672 2.236 3.777 3.641 -0.1065 -1.6357 -0.5753 + 1225SOL OW 3673 3.466 2.517 0.703 0.6052 -0.0964 -0.0386 + 1225SOL HW1 3674 3.446 2.432 0.743 -0.4968 0.4054 0.5131 + 1225SOL HW2 3675 3.406 2.522 0.629 -0.6064 0.9570 0.9842 + 1226SOL OW 3676 3.327 3.922 0.630 -0.7240 -0.0201 -0.1151 + 1226SOL HW1 3677 3.314 3.916 0.724 1.1915 1.7852 0.3052 + 1226SOL HW2 3678 3.322 3.831 0.599 0.1767 -0.8105 1.9473 + 1227SOL OW 3679 0.029 2.079 0.964 -0.4923 -0.2214 0.0140 + 1227SOL HW1 3680 0.055 2.169 0.947 0.1943 -0.2661 0.8283 + 1227SOL HW2 3681 -0.066 2.080 0.953 -0.6912 0.9669 1.5535 + 1228SOL OW 3682 0.309 1.003 0.482 -0.6342 -0.0597 -0.5322 + 1228SOL HW1 3683 0.373 1.059 0.439 1.0600 -1.0766 0.6300 + 1228SOL HW2 3684 0.356 0.922 0.500 -2.0313 -0.5440 1.0088 + 1229SOL OW 3685 2.782 0.247 1.446 0.3011 0.3508 0.7804 + 1229SOL HW1 3686 2.877 0.245 1.436 0.2309 -1.3653 0.2924 + 1229SOL HW2 3687 2.757 0.336 1.423 1.7220 0.6274 0.2522 + 1230SOL OW 3688 2.959 1.282 1.627 -0.4417 0.0844 0.1427 + 1230SOL HW1 3689 2.903 1.353 1.595 -0.7137 -0.5570 -0.8255 + 1230SOL HW2 3690 3.032 1.326 1.670 -1.1157 0.9403 0.4150 + 1231SOL OW 3691 1.490 2.689 0.524 -0.8496 -0.1134 -0.4082 + 1231SOL HW1 3692 1.579 2.664 0.549 -0.6592 -0.4952 -1.4459 + 1231SOL HW2 3693 1.489 2.784 0.531 0.1087 0.0126 -1.8720 + 1232SOL OW 3694 2.549 1.439 1.569 0.2766 0.3273 0.0239 + 1232SOL HW1 3695 2.620 1.381 1.543 0.2655 -0.1762 1.0981 + 1232SOL HW2 3696 2.506 1.463 1.487 -0.3707 -2.0210 -0.3557 + 1233SOL OW 3697 3.743 3.833 0.662 0.2152 0.2853 0.3204 + 1233SOL HW1 3698 3.689 3.912 0.657 2.8279 2.0890 -1.0581 + 1233SOL HW2 3699 3.828 3.861 0.628 1.1745 -3.1919 -0.3136 + 1234SOL OW 3700 2.466 0.159 2.187 0.4603 -0.1781 -0.6856 + 1234SOL HW1 3701 2.529 0.168 2.258 2.0904 -0.7804 -1.9990 + 1234SOL HW2 3702 2.512 0.194 2.110 -1.2565 0.4803 -1.4389 + 1235SOL OW 3703 2.044 0.947 1.025 0.0562 0.2341 -0.0176 + 1235SOL HW1 3704 2.115 0.954 1.089 -0.9684 -1.6815 1.3704 + 1235SOL HW2 3705 2.063 0.865 0.978 -1.3771 -0.4526 0.5669 + 1236SOL OW 3706 0.361 1.342 1.171 0.6448 0.1137 0.1965 + 1236SOL HW1 3707 0.378 1.309 1.083 1.4609 1.8950 -0.3420 + 1236SOL HW2 3708 0.408 1.282 1.229 -1.3758 -2.1184 -0.4264 + 1237SOL OW 3709 2.765 2.434 3.157 -0.0511 -0.1484 -0.2059 + 1237SOL HW1 3710 2.723 2.349 3.165 0.1521 0.0080 3.2699 + 1237SOL HW2 3711 2.858 2.417 3.171 0.0676 0.5313 -0.1253 + 1238SOL OW 3712 2.529 3.776 1.811 0.0849 -0.2838 -0.1796 + 1238SOL HW1 3713 2.521 3.810 1.900 1.6765 -0.9898 0.2536 + 1238SOL HW2 3714 2.465 3.826 1.760 0.7754 1.7402 0.8928 + 1239SOL OW 3715 2.619 0.645 1.537 0.5578 -0.0855 0.3087 + 1239SOL HW1 3716 2.652 0.658 1.626 -0.2456 0.0580 0.5906 + 1239SOL HW2 3717 2.580 0.730 1.513 1.1156 -0.0027 -0.3293 + 1240SOL OW 3718 3.145 0.121 0.807 0.0432 -0.2877 -0.0063 + 1240SOL HW1 3719 3.204 0.061 0.852 -0.8597 -0.5437 0.8467 + 1240SOL HW2 3720 3.070 0.130 0.866 -0.2999 0.8556 -0.5977 + 1241SOL OW 3721 3.209 1.398 1.682 0.2231 0.0635 0.5931 + 1241SOL HW1 3722 3.286 1.449 1.706 -0.8715 2.1673 -0.2141 + 1241SOL HW2 3723 3.213 1.392 1.586 -1.0880 1.0293 0.4571 + 1242SOL OW 3724 0.769 3.779 3.991 -0.1108 -0.1536 0.0134 + 1242SOL HW1 3725 0.708 3.852 3.974 -1.2450 -0.8663 0.9304 + 1242SOL HW2 3726 0.853 3.811 3.961 -1.1592 0.4089 -2.4319 + 1243SOL OW 3727 1.899 2.918 0.461 -0.4428 0.1218 0.0435 + 1243SOL HW1 3728 1.838 2.938 0.532 1.3979 3.0426 0.8764 + 1243SOL HW2 3729 1.959 2.853 0.497 -0.7731 0.0598 0.4789 + 1244SOL OW 3730 3.071 0.852 1.338 -0.3399 -0.3902 -0.1170 + 1244SOL HW1 3731 2.999 0.793 1.360 0.1381 -1.1903 -0.6743 + 1244SOL HW2 3732 3.123 0.804 1.274 0.3214 0.4509 -0.2218 + 1245SOL OW 3733 3.660 3.123 3.049 -0.2327 -0.0054 -0.4508 + 1245SOL HW1 3734 3.572 3.161 3.047 -0.7736 -1.2006 0.0983 + 1245SOL HW2 3735 3.694 3.137 2.961 0.3408 3.4729 0.2640 + 1246SOL OW 3736 0.245 0.952 2.761 -0.0790 -0.4809 -0.7973 + 1246SOL HW1 3737 0.170 0.958 2.820 -0.2876 -1.5801 -0.9394 + 1246SOL HW2 3738 0.225 1.011 2.689 -0.4683 -0.2114 -0.4703 + 1247SOL OW 3739 3.284 0.783 3.480 0.2303 -0.3416 0.0972 + 1247SOL HW1 3740 3.315 0.794 3.570 -1.4615 1.3351 0.4995 + 1247SOL HW2 3741 3.199 0.740 3.489 -0.4809 0.8715 -0.6049 + 1248SOL OW 3742 2.010 1.787 0.960 0.4258 0.1683 0.2475 + 1248SOL HW1 3743 2.021 1.873 1.000 -1.0924 0.3279 0.3457 + 1248SOL HW2 3744 1.998 1.728 1.034 2.2035 -0.2747 0.2218 + 1249SOL OW 3745 3.403 3.062 1.435 -0.5158 0.5225 0.4567 + 1249SOL HW1 3746 3.440 3.063 1.524 -0.0740 1.4192 0.2698 + 1249SOL HW2 3747 3.405 3.154 1.407 -2.1823 0.4811 0.1434 + 1250SOL OW 3748 1.945 0.721 1.198 0.1227 -0.3891 -0.4007 + 1250SOL HW1 3749 1.986 0.708 1.113 1.1474 -0.8513 0.1603 + 1250SOL HW2 3750 1.986 0.656 1.255 0.3426 0.7280 0.7482 + 1251SOL OW 3751 2.384 3.200 0.325 -0.4508 0.3398 -0.5777 + 1251SOL HW1 3752 2.347 3.275 0.279 -0.7380 0.8075 0.4061 + 1251SOL HW2 3753 2.308 3.146 0.348 -0.4694 0.9758 0.8746 + 1252SOL OW 3754 2.794 3.283 2.096 -0.1023 0.1924 0.3838 + 1252SOL HW1 3755 2.795 3.220 2.169 0.6897 -0.1397 0.0959 + 1252SOL HW2 3756 2.871 3.260 2.045 0.3233 1.5783 0.4105 + 1253SOL OW 3757 0.341 2.922 3.229 0.2147 0.7613 -0.0901 + 1253SOL HW1 3758 0.248 2.920 3.206 0.2187 1.4693 -0.1678 + 1253SOL HW2 3759 0.359 2.834 3.262 -1.2331 1.4528 2.7807 + 1254SOL OW 3760 0.125 1.120 0.118 0.3533 -0.8754 0.4720 + 1254SOL HW1 3761 0.218 1.142 0.123 -0.3515 2.5126 -0.2784 + 1254SOL HW2 3762 0.110 1.100 0.025 -0.1908 1.2334 0.0852 + 1255SOL OW 3763 2.707 3.883 1.517 -1.0598 0.3866 -0.2116 + 1255SOL HW1 3764 2.631 3.842 1.474 -0.3520 -0.6170 -0.5218 + 1255SOL HW2 3765 2.773 3.888 1.449 -0.1123 -0.7160 0.6036 + 1256SOL OW 3766 2.666 1.406 0.535 0.4819 -0.2131 0.1914 + 1256SOL HW1 3767 2.743 1.464 0.537 0.7396 -0.5300 -0.4166 + 1256SOL HW2 3768 2.703 1.318 0.542 0.3447 -0.5015 -2.3667 + 1257SOL OW 3769 3.076 1.819 1.692 0.6165 0.0668 -0.3952 + 1257SOL HW1 3770 3.019 1.843 1.619 -0.0967 0.9944 0.4729 + 1257SOL HW2 3771 3.031 1.746 1.734 1.1683 -0.6590 -1.0348 + 1258SOL OW 3772 0.029 1.803 0.268 -0.1007 0.6501 0.5390 + 1258SOL HW1 3773 -0.048 1.754 0.295 -0.4441 -0.1319 -1.7238 + 1258SOL HW2 3774 0.103 1.747 0.289 -0.3321 0.2248 0.2162 + 1259SOL OW 3775 0.353 2.445 1.852 0.1844 -0.1613 -0.8806 + 1259SOL HW1 3776 0.441 2.470 1.822 0.4374 0.2573 0.1815 + 1259SOL HW2 3777 0.315 2.526 1.885 -0.0572 -0.6250 -0.0024 + 1260SOL OW 3778 0.085 0.686 1.037 0.2457 -0.5171 0.1888 + 1260SOL HW1 3779 0.156 0.626 1.012 2.4540 2.0431 0.0993 + 1260SOL HW2 3780 0.062 0.659 1.126 -0.5720 -3.1008 -0.7529 + 1261SOL OW 3781 0.320 0.575 0.680 0.1298 -0.4028 -0.7218 + 1261SOL HW1 3782 0.280 0.535 0.603 2.0950 1.3707 -2.7287 + 1261SOL HW2 3783 0.383 0.638 0.644 0.4049 1.1369 2.3376 + 1262SOL OW 3784 1.520 3.822 0.653 -0.2635 0.2643 0.0192 + 1262SOL HW1 3785 1.503 3.819 0.747 3.2150 0.9633 0.7265 + 1262SOL HW2 3786 1.516 3.914 0.630 -2.3547 -0.0004 -0.8246 + 1263SOL OW 3787 3.078 0.483 0.499 -0.1538 -0.3548 0.3263 + 1263SOL HW1 3788 2.987 0.467 0.521 -0.1042 -0.3197 0.5551 + 1263SOL HW2 3789 3.128 0.443 0.571 0.1498 -3.8907 -1.7185 + 1264SOL OW 3790 0.430 0.476 1.135 -0.2458 0.3290 0.3636 + 1264SOL HW1 3791 0.385 0.423 1.201 0.8292 -0.8949 0.1430 + 1264SOL HW2 3792 0.376 0.467 1.057 -0.5541 0.2924 0.5796 + 1265SOL OW 3793 0.700 1.784 0.832 -0.6111 -0.0128 0.1952 + 1265SOL HW1 3794 0.790 1.754 0.847 -0.8946 -0.8100 0.3092 + 1265SOL HW2 3795 0.661 1.789 0.919 -0.8150 -0.0834 0.1086 + 1266SOL OW 3796 3.968 1.539 2.530 -0.0328 -0.0721 0.6016 + 1266SOL HW1 3797 3.933 1.502 2.449 -1.4207 -3.2835 2.5746 + 1266SOL HW2 3798 4.063 1.538 2.518 -0.2431 0.4144 -1.3180 + 1267SOL OW 3799 0.746 0.944 1.502 0.2935 0.1867 0.2173 + 1267SOL HW1 3800 0.668 0.993 1.478 -0.2274 0.0366 1.5732 + 1267SOL HW2 3801 0.715 0.855 1.517 0.7645 0.0739 0.5463 + 1268SOL OW 3802 3.752 1.208 3.304 0.7265 0.0252 -0.3358 + 1268SOL HW1 3803 3.841 1.194 3.334 0.8753 0.4056 -0.5923 + 1268SOL HW2 3804 3.697 1.160 3.366 1.2245 -1.8025 -1.2720 + 1269SOL OW 3805 2.267 0.270 0.173 0.3425 -0.2310 0.0429 + 1269SOL HW1 3806 2.248 0.243 0.263 0.5826 -0.7671 -0.0651 + 1269SOL HW2 3807 2.296 0.361 0.181 -0.4083 -0.0238 0.4203 + 1270SOL OW 3808 3.356 2.750 1.696 -0.2565 -0.0287 0.0090 + 1270SOL HW1 3809 3.421 2.695 1.652 -0.3453 -0.8857 0.9130 + 1270SOL HW2 3810 3.407 2.806 1.754 -0.3512 -1.2497 1.3082 + 1271SOL OW 3811 2.601 0.669 0.962 -0.1456 -0.2984 -0.3401 + 1271SOL HW1 3812 2.689 0.652 0.996 -0.2526 3.2964 2.0531 + 1271SOL HW2 3813 2.611 0.751 0.912 -1.6723 -1.2061 -2.2074 + 1272SOL OW 3814 2.378 2.388 1.631 -0.8743 -0.4226 0.3483 + 1272SOL HW1 3815 2.306 2.439 1.593 0.0885 1.4667 1.0473 + 1272SOL HW2 3816 2.433 2.365 1.556 0.4042 2.3208 0.3882 + 1273SOL OW 3817 1.128 3.527 1.157 -0.2939 -0.4250 -0.0453 + 1273SOL HW1 3818 1.048 3.477 1.145 -1.1197 0.9862 -0.5498 + 1273SOL HW2 3819 1.129 3.549 1.250 -2.2128 2.3440 -0.6303 + 1274SOL OW 3820 2.156 3.860 0.029 -0.4468 0.4146 -0.1034 + 1274SOL HW1 3821 2.233 3.845 -0.027 -1.0460 4.1338 -2.0984 + 1274SOL HW2 3822 2.169 3.801 0.103 1.5420 -3.0449 -3.0169 + 1275SOL OW 3823 0.412 0.242 3.526 0.7199 -0.4502 -0.6469 + 1275SOL HW1 3824 0.354 0.282 3.591 0.2293 0.1535 -1.4630 + 1275SOL HW2 3825 0.369 0.160 3.503 0.5943 -0.3846 -0.6468 + 1276SOL OW 3826 3.148 1.868 3.172 -0.4893 -0.6146 -0.4227 + 1276SOL HW1 3827 3.098 1.798 3.213 -0.3379 0.5133 1.7788 + 1276SOL HW2 3828 3.129 1.946 3.225 1.6514 0.3588 -1.0178 + 1277SOL OW 3829 3.781 3.790 2.458 -0.3533 -0.8832 0.1205 + 1277SOL HW1 3830 3.827 3.758 2.380 -1.0058 -2.4772 0.3760 + 1277SOL HW2 3831 3.768 3.712 2.511 -1.3140 -0.0557 1.1094 + 1278SOL OW 3832 1.779 2.355 1.079 0.2224 0.1935 -0.1745 + 1278SOL HW1 3833 1.763 2.397 0.994 0.1531 -2.3726 -1.4783 + 1278SOL HW2 3834 1.870 2.376 1.099 0.5413 -0.0083 -1.3664 + 1279SOL OW 3835 2.314 1.571 3.459 0.8559 -0.2043 0.7844 + 1279SOL HW1 3836 2.239 1.618 3.496 2.2240 2.6848 0.0948 + 1279SOL HW2 3837 2.300 1.572 3.365 1.6468 0.2481 0.6574 + 1280SOL OW 3838 2.656 2.674 1.584 0.5405 -0.2045 0.2390 + 1280SOL HW1 3839 2.590 2.677 1.653 1.6338 2.5191 1.2330 + 1280SOL HW2 3840 2.726 2.732 1.615 1.4400 0.3949 -2.7708 + 1281SOL OW 3841 2.044 3.789 3.599 -0.2908 0.4740 0.2645 + 1281SOL HW1 3842 2.012 3.791 3.509 -1.0662 -1.4666 0.4685 + 1281SOL HW2 3843 2.067 3.879 3.619 -1.5851 1.1798 -1.3544 + 1282SOL OW 3844 2.918 1.331 0.411 -0.3213 0.1487 0.5827 + 1282SOL HW1 3845 2.965 1.414 0.413 -0.4916 0.2334 1.0749 + 1282SOL HW2 3846 2.986 1.265 0.424 -0.0743 0.1641 -0.6089 + 1283SOL OW 3847 3.445 2.895 3.652 -0.0869 -1.2450 -0.5985 + 1283SOL HW1 3848 3.425 2.865 3.564 -0.1191 0.6910 -1.2763 + 1283SOL HW2 3849 3.533 2.933 3.645 -0.8422 0.6072 -0.2473 + 1284SOL OW 3850 2.121 2.033 1.578 0.6377 0.0314 -0.2469 + 1284SOL HW1 3851 2.082 1.948 1.560 -0.0070 0.7578 -2.5608 + 1284SOL HW2 3852 2.215 2.017 1.581 0.3581 -1.3456 3.0523 + 1285SOL OW 3853 3.221 3.377 3.211 0.0685 -0.0967 0.0934 + 1285SOL HW1 3854 3.192 3.361 3.301 -0.4256 0.3587 0.0139 + 1285SOL HW2 3855 3.270 3.459 3.215 2.1352 -1.3064 0.3927 + 1286SOL OW 3856 3.170 0.950 0.827 0.1511 -0.5276 -0.2980 + 1286SOL HW1 3857 3.228 1.007 0.877 0.1638 -1.1321 0.3719 + 1286SOL HW2 3858 3.225 0.918 0.755 0.1196 0.3723 -0.7304 + 1287SOL OW 3859 0.359 1.932 0.644 0.0074 -0.0855 -0.0716 + 1287SOL HW1 3860 0.361 1.846 0.603 -1.3127 1.6347 -4.0711 + 1287SOL HW2 3861 0.447 1.967 0.630 0.0692 -0.1570 0.1332 + 1288SOL OW 3862 3.982 1.777 0.910 0.6050 0.2351 -0.1288 + 1288SOL HW1 3863 3.905 1.792 0.854 -0.0786 0.2198 0.7838 + 1288SOL HW2 3864 4.002 1.864 0.945 1.6355 0.4211 -1.1474 + 1289SOL OW 3865 3.401 1.667 2.158 -0.7151 -0.1961 -0.0762 + 1289SOL HW1 3866 3.428 1.579 2.134 -1.3516 -0.6299 0.7428 + 1289SOL HW2 3867 3.368 1.705 2.077 1.5568 0.0623 -0.8981 + 1290SOL OW 3868 1.677 3.907 1.570 -0.4005 0.0291 -0.0231 + 1290SOL HW1 3869 1.655 4.000 1.566 1.4489 0.4107 -2.5502 + 1290SOL HW2 3870 1.648 3.872 1.486 0.2909 -1.3553 0.2961 + 1291SOL OW 3871 1.867 0.320 1.557 -0.1774 0.0888 0.8922 + 1291SOL HW1 3872 1.840 0.334 1.467 -0.2634 -0.2742 0.8603 + 1291SOL HW2 3873 1.875 0.225 1.565 0.4203 0.1559 1.0937 + 1292SOL OW 3874 1.088 0.667 1.129 -0.3301 0.5411 -0.3966 + 1292SOL HW1 3875 1.150 0.680 1.201 -0.3171 2.2011 -0.6834 + 1292SOL HW2 3876 1.123 0.594 1.079 -0.4477 -0.7645 1.3987 + 1293SOL OW 3877 2.082 0.190 1.232 0.0890 -0.1274 -0.1887 + 1293SOL HW1 3878 2.165 0.238 1.236 0.1787 -0.0762 -2.1551 + 1293SOL HW2 3879 2.107 0.098 1.235 0.1691 -0.1019 -0.0651 + 1294SOL OW 3880 3.719 0.168 0.311 0.2714 0.0775 0.6025 + 1294SOL HW1 3881 3.647 0.112 0.337 -0.5759 1.5602 1.5211 + 1294SOL HW2 3882 3.693 0.202 0.225 0.1427 0.1543 0.6720 + 1295SOL OW 3883 3.007 3.383 0.941 -0.0393 -0.3076 -0.2951 + 1295SOL HW1 3884 2.927 3.435 0.952 1.0163 1.2167 0.3989 + 1295SOL HW2 3885 3.022 3.382 0.846 -0.4088 0.1354 -0.3604 + 1296SOL OW 3886 3.762 3.816 2.760 0.4524 -0.2898 0.0199 + 1296SOL HW1 3887 3.829 3.872 2.800 -1.2193 2.4809 -0.9891 + 1296SOL HW2 3888 3.784 3.815 2.667 -0.1742 -0.4167 -0.1257 + 1297SOL OW 3889 3.357 0.772 3.718 0.3246 -0.0061 -0.1955 + 1297SOL HW1 3890 3.387 0.854 3.757 -0.6227 0.1322 0.2655 + 1297SOL HW2 3891 3.437 0.724 3.699 0.9309 1.4519 -1.4237 + 1298SOL OW 3892 3.130 3.729 2.016 0.5951 -0.3254 0.3069 + 1298SOL HW1 3893 3.188 3.680 2.073 -1.0287 -0.2712 2.0629 + 1298SOL HW2 3894 3.086 3.792 2.074 -1.3226 -0.4718 -0.9214 + 1299SOL OW 3895 3.319 1.793 3.763 -0.0362 -0.3801 -0.1828 + 1299SOL HW1 3896 3.304 1.855 3.691 -0.2056 -1.0138 -0.6986 + 1299SOL HW2 3897 3.397 1.744 3.737 -0.9655 -1.6341 -0.6541 + 1300SOL OW 3898 2.354 3.736 1.182 0.1829 -0.4107 0.3737 + 1300SOL HW1 3899 2.414 3.702 1.116 1.7865 2.9155 -0.0277 + 1300SOL HW2 3900 2.277 3.763 1.133 0.5038 0.1048 0.1508 + 1301SOL OW 3901 1.789 3.881 0.393 -0.0201 0.6562 0.1108 + 1301SOL HW1 3902 1.808 3.954 0.452 -0.0202 0.5927 0.1885 + 1301SOL HW2 3903 1.732 3.919 0.326 -0.1709 0.6809 0.2544 + 1302SOL OW 3904 1.600 0.739 3.007 -0.8470 -0.4549 0.1803 + 1302SOL HW1 3905 1.543 0.791 2.951 -0.7936 -0.0000 0.5399 + 1302SOL HW2 3906 1.633 0.802 3.072 0.8311 -0.5000 -0.6083 + 1303SOL OW 3907 0.169 3.317 0.413 0.3281 0.0143 -0.7881 + 1303SOL HW1 3908 0.186 3.322 0.507 -1.0895 1.0357 -0.5538 + 1303SOL HW2 3909 0.233 3.376 0.374 -0.5460 1.3698 -0.2292 + 1304SOL OW 3910 2.952 0.196 0.260 0.8092 0.1268 -0.4382 + 1304SOL HW1 3911 3.005 0.176 0.337 1.0007 0.3648 -0.5081 + 1304SOL HW2 3912 2.983 0.135 0.193 -1.2232 -1.9859 0.4536 + 1305SOL OW 3913 2.422 0.283 2.862 0.1721 -0.3750 0.0820 + 1305SOL HW1 3914 2.346 0.257 2.913 -0.5003 0.3584 -0.5182 + 1305SOL HW2 3915 2.454 0.202 2.822 -0.5396 -0.6295 0.0212 + 1306SOL OW 3916 3.821 0.310 1.359 0.4412 0.7463 0.1390 + 1306SOL HW1 3917 3.766 0.319 1.437 0.1575 -1.8902 0.2842 + 1306SOL HW2 3918 3.792 0.381 1.301 -0.8517 1.3802 1.5216 + 1307SOL OW 3919 3.853 2.679 3.512 -0.0672 0.2315 -1.0556 + 1307SOL HW1 3920 3.808 2.595 3.517 1.3665 -0.4886 -0.0679 + 1307SOL HW2 3921 3.936 2.666 3.558 0.1541 2.2026 -0.8150 + 1308SOL OW 3922 2.640 2.144 3.803 -0.7847 -0.1694 0.1279 + 1308SOL HW1 3923 2.676 2.216 3.855 -2.3730 -0.0933 1.1245 + 1308SOL HW2 3924 2.688 2.067 3.833 1.5511 0.5590 -1.5560 + 1309SOL OW 3925 3.430 3.968 3.869 -0.1241 -0.3654 -0.5243 + 1309SOL HW1 3926 3.497 3.908 3.836 -2.4618 -2.5773 -1.3920 + 1309SOL HW2 3927 3.401 3.929 3.952 0.8100 1.4841 0.7131 + 1310SOL OW 3928 0.997 3.691 0.459 0.3968 0.0568 0.0696 + 1310SOL HW1 3929 1.034 3.752 0.395 -1.0547 0.0280 -0.8272 + 1310SOL HW2 3930 1.069 3.631 0.480 1.0296 0.3809 -1.1396 + 1311SOL OW 3931 0.659 2.518 2.288 0.5731 -0.6386 0.5696 + 1311SOL HW1 3932 0.596 2.541 2.219 0.7940 -2.9543 -0.4420 + 1311SOL HW2 3933 0.634 2.573 2.362 -2.5481 -1.3657 0.1383 + 1312SOL OW 3934 1.367 1.129 3.884 0.3882 0.5353 -0.0868 + 1312SOL HW1 3935 1.298 1.195 3.884 -1.5492 -1.4167 -1.4258 + 1312SOL HW2 3936 1.443 1.173 3.845 -0.5419 2.2577 0.0089 + 1313SOL OW 3937 2.386 1.237 0.424 -0.0779 0.3879 0.1273 + 1313SOL HW1 3938 2.405 1.262 0.334 -0.5609 0.0961 -0.0539 + 1313SOL HW2 3939 2.459 1.180 0.449 -0.1967 0.0808 -0.2318 + 1314SOL OW 3940 1.849 1.564 1.205 0.1121 0.0061 -0.2872 + 1314SOL HW1 3941 1.784 1.601 1.265 -0.6010 -1.6673 0.0068 + 1314SOL HW2 3942 1.808 1.568 1.119 -0.3170 -0.8899 -0.1271 + 1315SOL OW 3943 2.918 3.136 3.544 -0.1808 0.5096 0.0230 + 1315SOL HW1 3944 2.869 3.118 3.624 -0.1694 2.3743 0.4633 + 1315SOL HW2 3945 2.861 3.194 3.494 0.9479 1.5109 -0.1174 + 1316SOL OW 3946 3.394 3.482 1.523 0.1371 -0.5084 0.1800 + 1316SOL HW1 3947 3.470 3.519 1.478 0.4786 -2.0840 -0.5936 + 1316SOL HW2 3948 3.432 3.431 1.595 -0.3843 1.6105 1.9926 + 1317SOL OW 3949 0.669 1.448 0.126 -0.1517 -0.1412 0.0249 + 1317SOL HW1 3950 0.624 1.526 0.096 1.5844 1.4404 1.3949 + 1317SOL HW2 3951 0.715 1.476 0.205 0.2617 -2.6251 0.7125 + 1318SOL OW 3952 0.557 1.168 1.211 0.5326 0.0816 0.2551 + 1318SOL HW1 3953 0.633 1.200 1.163 3.0634 -0.8574 3.4337 + 1318SOL HW2 3954 0.509 1.114 1.148 2.1485 1.2003 -1.9733 + 1319SOL OW 3955 3.651 3.785 1.280 -0.0963 0.0359 -0.2413 + 1319SOL HW1 3956 3.640 3.877 1.255 -0.4675 0.2515 0.7220 + 1319SOL HW2 3957 3.573 3.764 1.330 -0.3210 -0.9997 -1.0210 + 1320SOL OW 3958 0.098 3.833 0.288 0.3295 0.0285 0.3124 + 1320SOL HW1 3959 0.161 3.820 0.218 1.1540 0.2793 0.9847 + 1320SOL HW2 3960 0.073 3.925 0.281 -0.2327 -0.1633 -0.1771 + 1321SOL OW 3961 3.547 1.586 0.890 -0.2201 -0.1775 -0.0871 + 1321SOL HW1 3962 3.469 1.591 0.945 0.0310 0.8389 0.1941 + 1321SOL HW2 3963 3.594 1.667 0.909 0.0310 0.0341 -1.5598 + 1322SOL OW 3964 3.529 1.289 0.911 -0.7338 0.6519 0.1266 + 1322SOL HW1 3965 3.510 1.375 0.874 1.4558 1.9214 1.8384 + 1322SOL HW2 3966 3.576 1.307 0.992 -0.2583 -2.1572 0.5441 + 1323SOL OW 3967 3.426 0.364 0.272 0.3985 0.4227 -0.3284 + 1323SOL HW1 3968 3.420 0.281 0.226 0.7104 0.5016 -0.5144 + 1323SOL HW2 3969 3.381 0.349 0.355 -0.6951 0.4494 -0.8964 + 1324SOL OW 3970 0.409 3.391 1.817 0.0659 0.6716 0.1832 + 1324SOL HW1 3971 0.418 3.425 1.728 -1.6920 -0.8981 -0.6341 + 1324SOL HW2 3972 0.323 3.421 1.845 -0.2292 -0.5201 0.5779 + 1325SOL OW 3973 1.031 3.380 0.507 -0.3058 0.3998 0.0631 + 1325SOL HW1 3974 0.943 3.411 0.529 -1.3573 -1.7211 -0.9412 + 1325SOL HW2 3975 1.017 3.321 0.432 1.9938 0.1610 -0.2178 + 1326SOL OW 3976 2.760 1.994 0.236 -0.1120 -0.3608 -0.0262 + 1326SOL HW1 3977 2.746 1.971 0.144 1.0058 -1.0619 -0.0341 + 1326SOL HW2 3978 2.807 2.077 0.234 -0.2691 -0.2736 -0.0846 + 1327SOL OW 3979 3.203 2.274 0.551 0.6880 0.0927 0.5157 + 1327SOL HW1 3980 3.268 2.250 0.617 1.2655 0.7343 0.1810 + 1327SOL HW2 3981 3.249 2.333 0.492 0.1396 -0.3769 -0.3913 + 1328SOL OW 3982 3.572 3.690 1.707 -0.6299 -0.0311 -0.1569 + 1328SOL HW1 3983 3.530 3.723 1.787 -0.5619 1.0702 -0.5747 + 1328SOL HW2 3984 3.548 3.753 1.639 -1.0945 -1.2302 -1.1227 + 1329SOL OW 3985 2.573 0.412 0.283 0.3257 0.2374 0.2836 + 1329SOL HW1 3986 2.647 0.468 0.259 -0.1690 0.0634 -1.7687 + 1329SOL HW2 3987 2.501 0.442 0.227 -0.1877 -1.8469 -0.2065 + 1330SOL OW 3988 0.625 0.298 0.874 0.0256 0.3871 -0.4271 + 1330SOL HW1 3989 0.674 0.320 0.953 0.7905 -0.2789 -0.7114 + 1330SOL HW2 3990 0.631 0.377 0.819 -1.7630 1.3911 0.7863 + 1331SOL OW 3991 2.446 1.352 3.782 -0.3971 0.1450 0.2298 + 1331SOL HW1 3992 2.493 1.274 3.752 0.8681 0.3931 1.4845 + 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0.359 0.110 -0.0763 0.5507 2.5466 + 1478SOL OW 4432 2.224 1.024 1.225 0.7011 0.4286 0.6094 + 1478SOL HW1 4433 2.218 1.043 1.319 0.0209 1.0177 0.4573 + 1478SOL HW2 4434 2.308 0.981 1.214 0.3686 -0.4890 1.6405 + 1479SOL OW 4435 3.504 3.846 2.224 0.0452 -0.2518 -0.0327 + 1479SOL HW1 4436 3.478 3.821 2.313 1.4558 1.6798 0.9564 + 1479SOL HW2 4437 3.446 3.919 2.202 0.8893 0.4456 0.0207 + 1480SOL OW 4438 2.460 0.506 2.087 0.6069 0.1591 -0.0275 + 1480SOL HW1 4439 2.435 0.445 2.156 -0.5169 0.3771 -0.2242 + 1480SOL HW2 4440 2.400 0.487 2.015 0.9169 0.7978 -0.4648 + 1481SOL OW 4441 1.972 3.320 0.398 -0.0171 0.4037 -0.1805 + 1481SOL HW1 4442 1.966 3.277 0.313 1.9658 -1.3214 0.4899 + 1481SOL HW2 4443 1.886 3.309 0.437 -0.0265 -1.5817 -0.6970 + 1482SOL OW 4444 3.026 2.797 4.005 -0.2810 -0.1708 -0.2571 + 1482SOL HW1 4445 3.075 2.818 3.925 -0.8589 0.6673 -0.3948 + 1482SOL HW2 4446 3.048 2.706 4.023 -0.4346 -0.4816 -1.5888 + 1483SOL OW 4447 2.027 0.458 2.162 -0.3602 -0.4833 0.2315 + 1483SOL HW1 4448 2.116 0.427 2.182 -0.0831 1.8566 2.8678 + 1483SOL HW2 4449 2.041 0.530 2.101 -0.6141 -1.4927 -1.0380 + 1484SOL OW 4450 1.895 0.289 1.967 0.2608 0.4565 0.1016 + 1484SOL HW1 4451 1.919 0.350 2.037 0.8650 -1.0654 1.2587 + 1484SOL HW2 4452 1.800 0.283 1.972 0.2951 0.4021 0.7787 + 1485SOL OW 4453 0.200 0.805 0.097 -0.3730 0.1849 0.2170 + 1485SOL HW1 4454 0.191 0.829 0.005 0.9440 -0.1284 -0.0055 + 1485SOL HW2 4455 0.114 0.823 0.135 -0.5820 1.4509 -0.8063 + 1486SOL OW 4456 3.061 0.913 3.271 0.2040 -0.2278 -0.4212 + 1486SOL HW1 4457 3.101 0.993 3.237 -0.5499 -0.4614 -1.8819 + 1486SOL HW2 4458 3.018 0.873 3.195 0.2051 -1.7973 0.3809 + 1487SOL OW 4459 0.834 0.542 0.144 -0.2357 0.3306 -0.6138 + 1487SOL HW1 4460 0.847 0.558 0.051 -1.8723 0.3417 -0.8608 + 1487SOL HW2 4461 0.916 0.503 0.174 0.8144 1.6215 -1.7540 + 1488SOL OW 4462 2.626 2.082 3.498 0.3012 0.3494 -0.4471 + 1488SOL HW1 4463 2.629 2.130 3.581 -0.1228 -0.4346 0.0220 + 1488SOL HW2 4464 2.711 2.039 3.491 1.0802 1.9921 -1.3691 + 1489SOL OW 4465 2.234 0.751 0.422 0.0195 -0.3600 0.5282 + 1489SOL HW1 4466 2.240 0.669 0.472 0.6680 -0.1303 0.8374 + 1489SOL HW2 4467 2.274 0.816 0.480 0.2451 0.0205 -0.0584 + 1490SOL OW 4468 2.676 1.711 3.106 -0.7464 -0.4162 -0.2078 + 1490SOL HW1 4469 2.684 1.691 3.199 -1.9341 -0.2871 -0.0675 + 1490SOL HW2 4470 2.664 1.626 3.064 0.0661 -0.4981 -0.2747 + 1491SOL OW 4471 2.740 3.922 3.447 0.3973 -0.6900 0.1612 + 1491SOL HW1 4472 2.680 3.951 3.517 1.0585 -0.0500 0.4714 + 1491SOL HW2 4473 2.742 3.827 3.456 2.3260 -0.4765 2.5883 + 1492SOL OW 4474 0.548 1.992 1.553 -0.0044 -0.4984 0.2376 + 1492SOL HW1 4475 0.631 1.956 1.584 -0.2224 -2.0670 -0.9616 + 1492SOL HW2 4476 0.567 2.021 1.464 -0.4642 0.1478 0.3457 + 1493SOL OW 4477 2.716 0.404 2.136 -0.1827 0.6770 0.3508 + 1493SOL HW1 4478 2.629 0.427 2.106 -0.1431 -0.4139 -0.6311 + 1493SOL HW2 4479 2.768 0.394 2.056 0.2056 -1.1319 0.8041 + 1494SOL OW 4480 2.317 0.371 3.175 0.2388 -0.3298 -0.2869 + 1494SOL HW1 4481 2.342 0.459 3.146 2.1179 -0.3683 1.1228 + 1494SOL HW2 4482 2.261 0.337 3.105 2.5166 0.5692 -2.5873 + 1495SOL OW 4483 -0.000 2.901 2.218 -0.2088 -0.0524 0.5237 + 1495SOL HW1 4484 0.015 2.940 2.131 0.0340 -0.2172 0.4902 + 1495SOL HW2 4485 0.080 2.852 2.236 -0.1583 0.1873 0.9549 + 1496SOL OW 4486 2.910 2.296 1.426 -1.1046 0.8884 0.0274 + 1496SOL HW1 4487 2.889 2.372 1.480 1.4800 -0.0977 2.5320 + 1496SOL HW2 4488 2.999 2.312 1.395 -1.8695 0.5572 -2.4526 + 1497SOL OW 4489 3.627 0.965 0.636 -0.2636 -0.2267 1.0130 + 1497SOL HW1 4490 3.660 1.027 0.571 -1.8018 1.4593 1.7864 + 1497SOL HW2 4491 3.664 0.996 0.719 0.5988 -1.5607 1.1275 + 1498SOL OW 4492 2.030 0.872 0.048 0.0747 0.3577 0.1609 + 1498SOL HW1 4493 1.946 0.916 0.031 -0.3048 0.1658 1.4356 + 1498SOL HW2 4494 2.033 0.864 0.143 0.7871 -1.1296 0.0175 + 1499SOL OW 4495 0.198 0.845 3.476 -0.0955 0.1197 0.6947 + 1499SOL HW1 4496 0.259 0.810 3.411 1.3753 0.5736 1.8103 + 1499SOL HW2 4497 0.184 0.772 3.537 -1.6597 -0.3821 -0.2511 + 1500SOL OW 4498 3.670 0.276 0.073 -0.1478 -0.1009 0.3451 + 1500SOL HW1 4499 3.600 0.262 0.009 2.2814 0.7822 -2.6190 + 1500SOL HW2 4500 3.672 0.371 0.086 -0.0937 -0.2077 1.1646 + 1501SOL OW 4501 0.124 2.217 3.893 -0.4174 0.0296 0.6011 + 1501SOL HW1 4502 0.090 2.305 3.909 3.3438 1.8685 -0.8048 + 1501SOL HW2 4503 0.180 2.199 3.969 2.0785 0.6721 -1.0115 + 1502SOL OW 4504 2.397 0.902 -0.021 0.4146 0.1630 -0.4730 + 1502SOL HW1 4505 2.412 0.865 0.066 -0.6015 0.0519 -0.3446 + 1502SOL HW2 4506 2.405 0.997 -0.008 0.7695 0.1215 -0.3655 + 1503SOL OW 4507 3.389 3.783 2.958 -0.3607 -0.0420 -0.3680 + 1503SOL HW1 4508 3.299 3.789 2.927 0.1532 0.1782 -1.8306 + 1503SOL HW2 4509 3.391 3.837 3.037 -1.3483 0.4764 -0.6897 + 1504SOL OW 4510 1.222 1.195 2.105 -0.3228 0.0954 0.1253 + 1504SOL HW1 4511 1.223 1.252 2.182 -0.4104 2.5330 -1.6536 + 1504SOL HW2 4512 1.315 1.178 2.087 -0.2937 -0.2056 0.5250 + 1505SOL OW 4513 2.145 1.687 1.786 0.2840 0.0957 0.1123 + 1505SOL HW1 4514 2.071 1.654 1.838 1.4349 0.5985 2.1159 + 1505SOL HW2 4515 2.159 1.619 1.719 0.2870 -1.7394 1.9234 + 1506SOL OW 4516 2.286 0.941 3.022 0.3959 -0.4057 -0.1515 + 1506SOL HW1 4517 2.259 1.027 2.989 -0.5217 -0.9393 -0.8307 + 1506SOL HW2 4518 2.348 0.908 2.957 0.5380 -0.3809 -0.0304 + 1507SOL OW 4519 3.752 0.726 2.535 -0.3474 0.2775 0.4157 + 1507SOL HW1 4520 3.830 0.726 2.590 0.2308 -1.4154 -0.3531 + 1507SOL HW2 4521 3.679 0.745 2.595 0.5774 1.1976 1.2516 + 1508SOL OW 4522 2.900 1.700 3.553 -0.0225 -0.1530 -0.2721 + 1508SOL HW1 4523 2.915 1.736 3.641 2.1219 -0.3414 -0.5403 + 1508SOL HW2 4524 2.878 1.777 3.500 0.2953 0.1966 0.0933 + 1509SOL OW 4525 0.706 2.956 2.457 0.0120 0.1242 -0.1938 + 1509SOL HW1 4526 0.707 3.040 2.504 1.3849 -0.8053 1.4874 + 1509SOL HW2 4527 0.792 2.949 2.417 -0.2505 -0.2756 -0.6907 + 1510SOL OW 4528 0.987 2.570 3.771 0.0239 0.0803 -0.5074 + 1510SOL HW1 4529 0.977 2.653 3.726 1.1118 0.1837 -0.5716 + 1510SOL HW2 4530 0.925 2.574 3.844 -0.4045 0.6627 -0.9025 + 1511SOL OW 4531 2.992 0.568 0.061 0.2379 -0.1820 -0.1919 + 1511SOL HW1 4532 3.049 0.551 0.136 1.0457 0.0138 -0.7538 + 1511SOL HW2 4533 3.023 0.652 0.026 -1.5319 0.7996 0.5459 + 1512SOL OW 4534 2.119 0.503 3.000 -0.7849 0.6817 0.0340 + 1512SOL HW1 4535 2.063 0.579 3.016 -0.7121 0.1297 3.0584 + 1512SOL HW2 4536 2.066 0.428 3.025 0.0772 -0.0862 -0.4252 + 1513SOL OW 4537 3.110 0.550 3.576 -0.0380 -0.2011 0.2651 + 1513SOL HW1 4538 3.052 0.609 3.528 0.6932 0.0313 -0.3499 + 1513SOL HW2 4539 3.090 0.565 3.668 1.1489 2.0969 0.1851 + 1514SOL OW 4540 1.053 1.564 2.118 -0.7103 0.3775 -0.6732 + 1514SOL HW1 4541 1.030 1.602 2.203 -0.2743 0.4397 -0.5814 + 1514SOL HW2 4542 1.121 1.500 2.137 0.4340 1.4236 -1.1358 + 1515SOL OW 4543 2.935 3.496 2.165 -0.2225 0.0949 0.0571 + 1515SOL HW1 4544 2.910 3.560 2.099 2.6380 -0.2040 -1.3757 + 1515SOL HW2 4545 2.891 3.415 2.138 -2.0761 0.8649 0.6636 + 1516SOL OW 4546 0.541 0.208 2.122 0.3207 -0.4025 0.0297 + 1516SOL HW1 4547 0.457 0.194 2.078 0.0941 -0.5465 0.5074 + 1516SOL HW2 4548 0.549 0.303 2.128 -0.3364 -0.4059 0.9945 + 1517SOL OW 4549 2.989 1.484 2.667 -0.3486 -0.2880 0.0908 + 1517SOL HW1 4550 2.900 1.451 2.670 -0.4108 -0.4949 -2.6647 + 1517SOL HW2 4551 2.980 1.579 2.659 -0.2623 -0.0828 2.2464 + 1518SOL OW 4552 2.432 1.142 2.727 0.3988 -0.2968 0.3267 + 1518SOL HW1 4553 2.517 1.151 2.683 0.6349 -1.0865 0.6197 + 1518SOL HW2 4554 2.435 1.055 2.768 -0.3527 -0.1220 0.7587 + 1519SOL OW 4555 1.706 0.583 1.264 -0.5720 0.1728 -0.3695 + 1519SOL HW1 4556 1.742 0.495 1.255 -1.4966 -0.1648 -0.8000 + 1519SOL HW2 4557 1.770 0.639 1.220 1.6127 0.1251 2.5828 + 1520SOL OW 4558 2.960 3.004 0.671 0.0737 -0.5743 0.4868 + 1520SOL HW1 4559 2.921 2.931 0.623 -0.4378 -0.1034 0.1831 + 1520SOL HW2 4560 2.960 3.076 0.608 0.3092 -0.2298 0.8798 + 1521SOL OW 4561 3.119 3.804 3.358 0.3842 0.6380 0.5024 + 1521SOL HW1 4562 3.056 3.734 3.340 0.0081 1.4160 -1.2880 + 1521SOL HW2 4563 3.203 3.758 3.364 -0.0894 -0.1771 1.1047 + 1522SOL OW 4564 3.265 1.445 2.731 0.4032 0.2473 0.5978 + 1522SOL HW1 4565 3.182 1.441 2.683 -0.1817 -0.1451 1.6272 + 1522SOL HW2 4566 3.330 1.415 2.668 -0.3936 -0.5030 0.1117 + 1523SOL OW 4567 2.762 0.983 2.109 0.3780 0.0054 -0.2744 + 1523SOL HW1 4568 2.833 0.925 2.082 0.6240 -0.1780 0.7454 + 1523SOL HW2 4569 2.684 0.945 2.067 0.3752 -1.6486 1.1544 + 1524SOL OW 4570 3.456 2.861 2.489 0.7614 0.0001 0.1826 + 1524SOL HW1 4571 3.428 2.806 2.416 1.4343 0.4358 -0.4064 + 1524SOL HW2 4572 3.445 2.806 2.566 2.1259 -1.2312 -0.4822 + 1525SOL OW 4573 3.902 0.441 2.328 0.0050 0.3141 0.8684 + 1525SOL HW1 4574 3.908 0.442 2.423 -4.3177 0.0870 1.2495 + 1525SOL HW2 4575 3.870 0.528 2.304 -0.1499 -0.0388 -0.2541 + 1526SOL OW 4576 3.088 1.403 3.895 0.0149 0.1546 -0.1302 + 1526SOL HW1 4577 3.103 1.389 3.989 1.2504 0.4399 -0.2789 + 1526SOL HW2 4578 3.013 1.347 3.874 -0.5186 0.3768 1.1060 + 1527SOL OW 4579 2.061 1.219 2.301 -0.0567 0.0105 -0.1448 + 1527SOL HW1 4580 2.067 1.205 2.395 1.7936 -1.0905 -0.3927 + 1527SOL HW2 4581 2.032 1.310 2.292 2.6369 1.1138 1.5181 + 1528SOL OW 4582 0.487 2.229 2.464 -1.0117 -0.7820 -0.6809 + 1528SOL HW1 4583 0.466 2.188 2.381 -0.5233 0.8287 -1.6075 + 1528SOL HW2 4584 0.410 2.280 2.487 -0.5174 0.0956 -0.9666 + 1529SOL OW 4585 0.214 0.539 2.576 -0.8420 0.2780 0.2625 + 1529SOL HW1 4586 0.132 0.496 2.599 -0.6224 -0.9594 -1.1516 + 1529SOL HW2 4587 0.280 0.496 2.629 -0.6589 -0.9742 -0.9667 + 1530SOL OW 4588 2.378 0.809 3.484 0.2666 -0.1665 -0.2179 + 1530SOL HW1 4589 2.299 0.849 3.447 -0.2868 -1.6912 -0.7357 + 1530SOL HW2 4590 2.430 0.783 3.408 1.2987 0.8638 0.1215 + 1531SOL OW 4591 2.732 1.694 0.247 -0.4063 -0.0858 -0.2258 + 1531SOL HW1 4592 2.777 1.776 0.228 -0.3581 -0.0753 -0.0625 + 1531SOL HW2 4593 2.641 1.709 0.220 -1.3872 1.4159 3.5857 + 1532SOL OW 4594 0.889 2.408 2.850 -0.8637 -0.3750 -0.4137 + 1532SOL HW1 4595 0.820 2.350 2.885 -1.7465 0.8038 -0.1750 + 1532SOL HW2 4596 0.959 2.404 2.916 -0.9988 -1.0137 -0.3028 + 1533SOL OW 4597 0.276 1.628 0.260 0.1779 -0.1440 -0.3557 + 1533SOL HW1 4598 0.229 1.581 0.192 -1.2536 -0.2621 0.6861 + 1533SOL HW2 4599 0.363 1.645 0.223 -1.0096 1.0077 -2.7383 + 1534SOL OW 4600 0.407 3.485 0.786 -0.1193 0.6539 -0.2788 + 1534SOL HW1 4601 0.388 3.518 0.874 -1.2412 0.7936 -0.5648 + 1534SOL HW2 4602 0.349 3.409 0.777 0.4986 0.2303 -0.6382 + 1535SOL OW 4603 3.579 0.578 3.947 0.3394 -0.2540 -0.3312 + 1535SOL HW1 4604 3.508 0.579 4.011 -0.6729 -1.6453 -1.4028 + 1535SOL HW2 4605 3.546 0.524 3.875 1.9337 0.2735 -1.4828 + 1536SOL OW 4606 0.410 0.524 1.454 0.6963 0.3972 0.4968 + 1536SOL HW1 4607 0.368 0.453 1.406 2.4719 -1.5235 1.6406 + 1536SOL HW2 4608 0.357 0.601 1.437 0.0867 -0.6933 -2.7564 + 1537SOL OW 4609 3.518 0.882 0.302 0.5798 -0.0315 0.5633 + 1537SOL HW1 4610 3.548 0.858 0.389 1.1898 -1.4738 -0.0234 + 1537SOL HW2 4611 3.503 0.976 0.306 -0.2619 -0.2339 2.4751 + 1538SOL OW 4612 1.889 1.066 3.181 0.4632 -0.1198 -0.4293 + 1538SOL HW1 4613 1.861 1.139 3.127 0.5660 -0.4495 -0.9258 + 1538SOL HW2 4614 1.807 1.021 3.204 0.4126 0.0686 -0.2402 + 1539SOL OW 4615 1.279 1.259 2.849 -0.7159 -0.0543 -0.3161 + 1539SOL HW1 4616 1.315 1.212 2.924 0.6533 -1.5304 -1.8665 + 1539SOL HW2 4617 1.201 1.209 2.825 -3.2509 2.4274 2.2526 + 1540SOL OW 4618 2.787 3.916 3.743 0.6110 -0.0076 0.4988 + 1540SOL HW1 4619 2.728 3.886 3.812 -1.3537 2.4076 -0.0352 + 1540SOL HW2 4620 2.773 4.011 3.740 1.7957 0.1195 -2.1663 + 1541SOL OW 4621 3.172 0.086 3.821 0.5169 0.0559 -0.0868 + 1541SOL HW1 4622 3.265 0.065 3.830 0.2379 -0.4424 1.9644 + 1541SOL HW2 4623 3.137 0.017 3.765 1.3940 0.3029 -0.9539 + 1542SOL OW 4624 2.812 2.988 2.046 0.4327 -0.7420 -0.0692 + 1542SOL HW1 4625 2.809 2.927 2.120 -0.4968 0.9917 1.3595 + 1542SOL HW2 4626 2.721 3.017 2.036 0.5206 -1.1197 -2.0319 + 1543SOL OW 4627 3.547 2.648 3.199 0.7683 0.2686 0.0002 + 1543SOL HW1 4628 3.631 2.686 3.224 0.7608 0.0400 0.3789 + 1543SOL HW2 4629 3.569 2.567 3.154 0.8053 1.0330 -1.3751 + 1544SOL OW 4630 2.841 2.563 3.387 0.6183 0.0077 -0.4517 + 1544SOL HW1 4631 2.925 2.589 3.349 1.4267 -1.2346 0.4545 + 1544SOL HW2 4632 2.789 2.535 3.312 1.0712 0.6296 -1.0019 + 1545SOL OW 4633 2.430 0.777 2.198 -0.3768 -0.5793 0.5225 + 1545SOL HW1 4634 2.469 0.695 2.167 -2.0898 -2.3934 2.9325 + 1545SOL HW2 4635 2.363 0.799 2.133 1.6954 0.2611 -1.3932 + 1546SOL OW 4636 2.360 2.555 3.051 -0.2378 -0.3585 0.2234 + 1546SOL HW1 4637 2.420 2.595 3.113 1.0766 -1.7740 -0.1000 + 1546SOL HW2 4638 2.387 2.463 3.047 -2.1135 -0.9157 -0.3002 + 1547SOL OW 4639 2.075 1.798 3.037 -0.1861 -0.3138 -0.8385 + 1547SOL HW1 4640 2.015 1.870 3.020 -0.7001 -0.3543 0.7129 + 1547SOL HW2 4641 2.021 1.730 3.077 0.9990 -0.0818 1.2310 + 1548SOL OW 4642 3.652 1.234 2.252 -0.6169 0.5969 0.6663 + 1548SOL HW1 4643 3.618 1.164 2.308 -0.5310 0.4507 0.5397 + 1548SOL HW2 4644 3.715 1.189 2.195 1.3135 1.2138 2.2608 + 1549SOL OW 4645 1.746 2.697 2.653 0.8060 0.7318 0.5757 + 1549SOL HW1 4646 1.767 2.772 2.597 1.4790 0.1303 0.0109 + 1549SOL HW2 4647 1.680 2.648 2.604 2.3370 -0.4959 -0.3121 + 1550SOL OW 4648 2.625 1.064 2.461 -0.5250 0.1246 0.7173 + 1550SOL HW1 4649 2.708 1.101 2.492 0.3995 -1.4465 0.2130 + 1550SOL HW2 4650 2.607 1.110 2.380 -0.1101 0.4312 0.7988 + 1551SOL OW 4651 2.445 1.823 3.939 -0.2110 0.5548 -0.2441 + 1551SOL HW1 4652 2.397 1.854 3.862 -0.7773 1.4046 0.4400 + 1551SOL HW2 4653 2.409 1.736 3.956 0.3746 0.0954 -1.3216 + 1552SOL OW 4654 1.165 0.071 2.364 -0.1467 -0.0132 -0.3128 + 1552SOL HW1 4655 1.190 0.144 2.421 0.2994 -0.3748 -0.0418 + 1552SOL HW2 4656 1.077 0.094 2.333 -0.0327 0.6120 -0.1861 + 1553SOL OW 4657 3.560 1.423 2.448 -0.0773 -0.1122 -0.3684 + 1553SOL HW1 4658 3.627 1.392 2.387 -1.0078 -2.1030 -0.4003 + 1553SOL HW2 4659 3.519 1.344 2.481 0.2902 0.9275 2.7535 + 1554SOL OW 4660 1.317 1.501 1.126 -0.0743 0.2411 -0.0063 + 1554SOL HW1 4661 1.297 1.492 1.033 0.2425 -0.7086 0.0052 + 1554SOL HW2 4662 1.277 1.584 1.153 2.2987 2.0005 -1.6657 + 1555SOL OW 4663 3.941 3.025 2.603 0.0829 0.1893 0.2351 + 1555SOL HW1 4664 4.036 3.027 2.613 0.3024 -1.7925 -1.0271 + 1555SOL HW2 4665 3.923 3.088 2.533 0.4877 0.5524 0.4589 + 1556SOL OW 4666 0.586 0.942 0.339 -0.3358 0.2418 -0.0015 + 1556SOL HW1 4667 0.622 1.028 0.316 0.6015 -0.0922 0.1765 + 1556SOL HW2 4668 0.599 0.889 0.261 -0.6629 0.1830 -0.0164 + 1557SOL OW 4669 2.556 2.848 0.616 -0.1806 -0.0687 0.0216 + 1557SOL HW1 4670 2.483 2.901 0.648 -1.1064 -1.0145 -0.5405 + 1557SOL HW2 4671 2.633 2.902 0.634 -1.0343 1.0793 0.2928 + 1558SOL OW 4672 3.431 1.516 0.630 -0.1454 -0.6097 -0.1470 + 1558SOL HW1 4673 3.518 1.512 0.669 0.3472 -0.6427 -1.2122 + 1558SOL HW2 4674 3.401 1.606 0.646 -0.2685 -0.8362 0.9335 + 1559SOL OW 4675 2.254 0.806 1.572 -0.2635 0.2916 -0.1639 + 1559SOL HW1 4676 2.224 0.730 1.523 1.9588 1.0596 -2.8828 + 1559SOL HW2 4677 2.281 0.772 1.657 -1.0374 -1.6296 -0.6677 + 1560SOL OW 4678 0.071 0.624 2.936 -0.6034 0.1406 -0.5306 + 1560SOL HW1 4679 0.017 0.610 3.014 0.2432 0.2646 0.0825 + 1560SOL HW2 4680 0.161 0.626 2.969 0.0052 -2.6978 -1.9021 + 1561SOL OW 4681 1.843 0.975 2.472 -0.7875 0.1639 -0.5487 + 1561SOL HW1 4682 1.766 1.005 2.520 0.0278 -0.0183 0.8929 + 1561SOL HW2 4683 1.897 1.053 2.461 -1.1458 0.2827 -1.5173 + 1562SOL OW 4684 0.764 2.100 2.498 0.3615 0.2448 0.8173 + 1562SOL HW1 4685 0.752 2.005 2.495 0.0892 0.3060 -1.0991 + 1562SOL HW2 4686 0.681 2.136 2.465 -0.1024 1.2008 2.9748 + 1563SOL OW 4687 2.302 1.538 3.177 0.0855 -0.1518 0.1094 + 1563SOL HW1 4688 2.311 1.550 3.082 0.5562 0.9404 0.2777 + 1563SOL HW2 4689 2.342 1.453 3.194 -3.3261 -2.1113 -1.1489 + 1564SOL OW 4690 1.408 0.911 1.558 0.1057 -0.1319 0.2300 + 1564SOL HW1 4691 1.427 0.888 1.467 -1.0137 0.2421 -0.1074 + 1564SOL HW2 4692 1.485 0.883 1.607 0.9508 0.1823 -0.9170 + 1565SOL OW 4693 3.700 0.162 2.153 0.1061 0.8087 -0.2373 + 1565SOL HW1 4694 3.682 0.167 2.247 0.3354 0.4494 -0.1760 + 1565SOL HW2 4695 3.792 0.185 2.145 -0.1454 1.7618 -0.4697 + 1566SOL OW 4696 1.669 1.699 2.019 -0.1551 0.3438 0.0703 + 1566SOL HW1 4697 1.640 1.779 1.977 -1.5123 -0.1924 -0.0192 + 1566SOL HW2 4698 1.647 1.630 1.957 0.3130 -0.1747 0.4788 + 1567SOL OW 4699 0.122 1.856 2.426 0.1289 -0.3552 0.1467 + 1567SOL HW1 4700 0.104 1.774 2.473 -0.5942 0.2128 0.8693 + 1567SOL HW2 4701 0.122 1.923 2.493 2.9272 -0.0183 -0.1138 + 1568SOL OW 4702 3.728 0.268 2.751 0.2272 -0.0231 0.4526 + 1568SOL HW1 4703 3.789 0.231 2.814 -1.5253 0.5303 2.5464 + 1568SOL HW2 4704 3.642 0.236 2.779 -0.7352 1.3660 -0.8243 + 1569SOL OW 4705 1.395 0.754 3.249 0.2116 0.4909 -0.4064 + 1569SOL HW1 4706 1.441 0.737 3.331 0.0289 2.2899 0.0856 + 1569SOL HW2 4707 1.457 0.728 3.181 0.6285 -0.3414 0.2771 + 1570SOL OW 4708 0.793 0.901 1.865 0.4980 0.1455 -0.1456 + 1570SOL HW1 4709 0.832 0.966 1.807 -0.5183 1.5894 0.7569 + 1570SOL HW2 4710 0.775 0.948 1.946 -0.2621 -1.2660 0.5368 + 1571SOL OW 4711 3.710 2.948 3.295 -0.1115 0.3836 -0.5512 + 1571SOL HW1 4712 3.766 2.982 3.365 -0.9875 -0.0716 0.3951 + 1571SOL HW2 4713 3.727 3.005 3.220 1.3012 0.5025 -0.1524 + 1572SOL OW 4714 1.849 0.152 2.955 0.2091 -0.0789 0.3776 + 1572SOL HW1 4715 1.892 0.178 2.873 0.0294 1.3487 0.7218 + 1572SOL HW2 4716 1.863 0.226 3.014 -2.2994 0.2256 0.6492 + 1573SOL OW 4717 3.132 1.129 3.576 0.1427 0.2522 0.1085 + 1573SOL HW1 4718 3.108 1.211 3.532 -0.1728 0.0816 -0.0360 + 1573SOL HW2 4719 3.202 1.093 3.521 -0.8105 -0.3679 -0.7103 + 1574SOL OW 4720 2.802 0.306 3.523 0.0104 0.4857 -0.2292 + 1574SOL HW1 4721 2.763 0.287 3.608 -0.5594 1.6376 -0.2221 + 1574SOL HW2 4722 2.896 0.305 3.540 -0.1125 1.5036 0.6071 + 1575SOL OW 4723 0.468 2.303 0.981 -0.5237 0.0586 0.6774 + 1575SOL HW1 4724 0.529 2.374 0.962 -1.1076 -0.2241 -2.3740 + 1575SOL HW2 4725 0.443 2.317 1.073 0.5817 2.8363 0.5848 + 1576SOL OW 4726 3.920 0.663 0.675 0.5450 0.2364 -0.7478 + 1576SOL HW1 4727 3.972 0.592 0.711 -0.6389 -0.6431 -0.7545 + 1576SOL HW2 4728 3.830 0.633 0.682 0.0209 1.7911 -0.6257 + 1577SOL OW 4729 1.356 2.772 2.292 0.0078 -0.2134 0.4152 + 1577SOL HW1 4730 1.306 2.766 2.211 -2.6285 -0.2784 1.9756 + 1577SOL HW2 4731 1.404 2.689 2.297 -0.9310 -0.8168 -0.3739 + 1578SOL OW 4732 2.240 1.375 2.688 -0.3062 -0.4393 0.1547 + 1578SOL HW1 4733 2.207 1.399 2.601 1.4693 0.1849 -0.3734 + 1578SOL HW2 4734 2.334 1.361 2.674 0.0504 0.0159 2.0323 + 1579SOL OW 4735 3.086 2.007 0.492 0.4993 -0.5945 0.3501 + 1579SOL HW1 4736 3.115 2.098 0.499 0.0938 -0.4672 0.3734 + 1579SOL HW2 4737 3.048 1.988 0.578 -0.9942 -0.2400 -0.2222 + 1580SOL OW 4738 1.797 3.963 1.961 0.4015 -0.0040 0.0261 + 1580SOL HW1 4739 1.756 4.041 1.997 2.8518 1.6238 -0.5721 + 1580SOL HW2 4740 1.728 3.922 1.909 -0.8956 1.8298 0.2457 + 1581SOL OW 4741 1.278 0.571 0.545 0.1378 0.0079 -0.0723 + 1581SOL HW1 4742 1.320 0.597 0.463 -1.7282 0.1960 -0.9880 + 1581SOL HW2 4743 1.240 0.652 0.579 0.0494 -0.2663 0.4778 + 1582SOL OW 4744 1.069 2.276 2.278 -0.1752 -0.2122 0.8477 + 1582SOL HW1 4745 1.101 2.354 2.233 -1.4143 -1.0205 -1.5492 + 1582SOL HW2 4746 0.974 2.286 2.279 -0.3371 -1.6166 0.6142 + 1583SOL OW 4747 2.196 1.060 3.546 0.0900 0.0850 -0.1824 + 1583SOL HW1 4748 2.118 1.101 3.509 -0.3793 -1.3946 -0.8803 + 1583SOL HW2 4749 2.170 1.031 3.633 0.6237 1.8089 0.5952 + 1584SOL OW 4750 0.388 3.186 3.280 -0.0625 -0.1172 -0.3205 + 1584SOL HW1 4751 0.385 3.182 3.376 0.8401 1.2822 -0.2145 + 1584SOL HW2 4752 0.360 3.099 3.252 -1.4629 -0.1911 1.1788 + 1585SOL OW 4753 3.904 1.563 0.624 0.2990 -0.2887 -0.1741 + 1585SOL HW1 4754 3.891 1.474 0.659 -1.4436 0.1955 0.4706 + 1585SOL HW2 4755 3.992 1.587 0.652 0.3998 -1.4252 0.5305 + 1586SOL OW 4756 3.802 1.399 3.113 0.5486 -0.0047 -0.1106 + 1586SOL HW1 4757 3.789 1.329 3.177 -0.3056 0.1025 -0.1616 + 1586SOL HW2 4758 3.750 1.372 3.037 -0.2583 0.9764 0.0921 + 1587SOL OW 4759 2.563 0.228 0.627 -0.1032 -0.4400 -0.1072 + 1587SOL HW1 4760 2.529 0.246 0.715 -0.8843 -0.8072 -0.3266 + 1587SOL HW2 4761 2.608 0.308 0.601 -0.3559 -0.1346 0.4030 + 1588SOL OW 4762 3.215 2.359 3.683 0.0432 -0.0442 0.1671 + 1588SOL HW1 4763 3.141 2.410 3.650 -0.9235 -0.7353 1.2083 + 1588SOL HW2 4764 3.251 2.317 3.606 -0.3931 0.6374 -0.4175 + 1589SOL OW 4765 0.088 2.891 3.405 -0.0585 -0.0442 -0.4762 + 1589SOL HW1 4766 0.154 2.902 3.473 0.3185 -0.5446 -0.7542 + 1589SOL HW2 4767 0.016 2.845 3.450 -0.0070 0.0453 -0.3002 + 1590SOL OW 4768 3.246 0.303 3.377 0.5737 -0.6555 -0.1725 + 1590SOL HW1 4769 3.186 0.287 3.450 1.1750 1.8426 0.9089 + 1590SOL HW2 4770 3.309 0.231 3.383 -0.9512 -2.0068 0.0833 + 1591SOL OW 4771 0.513 0.684 2.910 -0.5810 0.2065 0.6108 + 1591SOL HW1 4772 0.510 0.773 2.876 1.3227 -0.6669 -2.0061 + 1591SOL HW2 4773 0.444 0.638 2.862 -0.9492 0.0434 1.2916 + 1592SOL OW 4774 3.251 2.409 2.076 -0.2015 0.5936 0.4153 + 1592SOL HW1 4775 3.298 2.486 2.041 1.6836 -0.7035 0.0267 + 1592SOL HW2 4776 3.202 2.375 2.001 0.3127 0.4221 0.1551 + 1593SOL OW 4777 3.151 1.500 1.939 -0.3253 -0.0927 0.4298 + 1593SOL HW1 4778 3.195 1.451 1.869 -0.8760 -0.7830 0.5561 + 1593SOL HW2 4779 3.210 1.573 1.958 -0.6517 0.6595 -1.4258 + 1594SOL OW 4780 3.208 0.684 3.173 -0.1531 0.2127 -0.2082 + 1594SOL HW1 4781 3.183 0.722 3.257 0.1762 0.3183 -0.1569 + 1594SOL HW2 4782 3.151 0.607 3.163 -0.5306 0.4772 -0.1177 + 1595SOL OW 4783 2.652 1.540 3.762 -0.7759 0.4972 0.3542 + 1595SOL HW1 4784 2.612 1.592 3.692 -0.6307 1.4960 1.0145 + 1595SOL HW2 4785 2.582 1.482 3.792 -0.2392 -1.5292 -2.1320 + 1596SOL OW 4786 1.488 3.168 0.812 -0.1050 -0.0161 0.4378 + 1596SOL HW1 4787 1.570 3.126 0.838 0.4998 0.6120 -0.4029 + 1596SOL HW2 4788 1.420 3.120 0.858 0.8740 0.7448 2.7497 + 1597SOL OW 4789 1.510 1.160 2.031 -0.6003 0.2448 0.0869 + 1597SOL HW1 4790 1.482 1.116 1.950 -0.7041 2.2648 -1.0210 + 1597SOL HW2 4791 1.542 1.090 2.087 -0.1092 -1.1574 -1.9060 + 1598SOL OW 4792 3.437 3.117 2.425 -0.1616 0.3644 0.3481 + 1598SOL HW1 4793 3.442 3.021 2.421 -1.2963 0.3183 -0.3899 + 1598SOL HW2 4794 3.344 3.136 2.412 -0.0109 1.5525 0.9332 + 1599SOL OW 4795 3.290 1.040 3.369 -0.5559 -0.1208 -0.0226 + 1599SOL HW1 4796 3.304 0.953 3.407 -1.5824 -0.6839 -0.9165 + 1599SOL HW2 4797 3.331 1.035 3.283 -1.4278 -0.0174 -0.4439 + 1600SOL OW 4798 2.183 1.142 1.469 0.3435 0.0606 -0.0520 + 1600SOL HW1 4799 2.185 1.221 1.522 0.8871 -0.7225 1.1115 + 1600SOL HW2 4800 2.101 1.098 1.492 0.8391 -0.5554 0.5560 + 1601SOL OW 4801 3.879 2.288 3.150 0.2717 -0.0673 -0.5204 + 1601SOL HW1 4802 3.820 2.297 3.076 -1.7221 -0.0548 1.0258 + 1601SOL HW2 4803 3.949 2.351 3.133 -1.4880 1.7820 -1.1503 + 1602SOL OW 4804 3.843 0.707 0.413 0.1233 0.0225 0.0042 + 1602SOL HW1 4805 3.759 0.689 0.456 0.0028 -1.0728 -0.6764 + 1602SOL HW2 4806 3.907 0.707 0.485 -0.4625 0.9961 0.5428 + 1603SOL OW 4807 3.658 0.510 1.711 -0.5010 0.1532 0.1790 + 1603SOL HW1 4808 3.682 0.451 1.782 1.8790 -0.3316 -0.9539 + 1603SOL HW2 4809 3.733 0.568 1.702 -1.3564 1.0885 -1.0211 + 1604SOL OW 4810 2.552 2.656 3.954 0.0758 -0.1746 0.0879 + 1604SOL HW1 4811 2.570 2.593 3.885 0.8557 2.6087 -2.3224 + 1604SOL HW2 4812 2.577 2.610 4.035 0.6474 -2.8925 -1.5530 + 1605SOL OW 4813 2.034 0.616 1.932 -0.1116 -0.4033 0.1291 + 1605SOL HW1 4814 2.095 0.689 1.930 0.6887 -1.0678 0.0075 + 1605SOL HW2 4815 1.994 0.615 1.845 0.8452 -0.9233 -0.3039 + 1606SOL OW 4816 3.993 3.020 3.702 -0.6010 0.7088 -0.3942 + 1606SOL HW1 4817 3.944 3.055 3.776 0.3978 0.6844 0.2736 + 1606SOL HW2 4818 3.998 2.926 3.719 -1.6234 0.4816 -1.2307 + 1607SOL OW 4819 2.510 3.133 2.789 0.1735 0.5714 -0.9229 + 1607SOL HW1 4820 2.569 3.087 2.729 -0.6719 -0.2452 -1.1341 + 1607SOL HW2 4821 2.431 3.149 2.738 -0.4157 0.1869 -0.1326 + 1608SOL OW 4822 0.121 1.567 1.959 -0.1437 0.0752 -0.3908 + 1608SOL HW1 4823 0.099 1.492 2.013 -0.3511 0.4092 -0.0043 + 1608SOL HW2 4824 0.055 1.633 1.982 0.5183 0.6528 -0.1315 + 1609SOL OW 4825 2.638 3.551 2.045 0.3709 -0.1201 0.4995 + 1609SOL HW1 4826 2.703 3.607 2.003 1.7404 -1.3228 0.9292 + 1609SOL HW2 4827 2.619 3.484 1.980 0.0045 -0.0955 0.5838 + 1610SOL OW 4828 2.476 0.066 2.693 -0.6495 -0.2740 0.0287 + 1610SOL HW1 4829 2.430 0.064 2.609 -0.2773 -0.4056 -0.1695 + 1610SOL HW2 4830 2.568 0.053 2.671 -0.4148 0.7758 0.3601 + 1611SOL OW 4831 1.857 1.971 0.365 0.0872 -1.1267 0.1967 + 1611SOL HW1 4832 1.904 1.888 0.360 0.3968 -0.9497 0.1315 + 1611SOL HW2 4833 1.920 2.033 0.402 -0.2973 -1.0300 0.7006 + 1612SOL OW 4834 2.068 3.732 2.075 0.2375 -0.0865 0.3592 + 1612SOL HW1 4835 2.054 3.729 1.980 -0.4193 -0.4772 0.4654 + 1612SOL HW2 4836 2.126 3.658 2.093 1.1920 0.5890 0.1333 + 1613SOL OW 4837 3.751 3.187 2.064 -0.2004 -0.4527 0.2656 + 1613SOL HW1 4838 3.708 3.257 2.113 -0.2129 -1.6322 1.9893 + 1613SOL HW2 4839 3.707 3.107 2.092 1.7699 -1.4804 0.5838 + 1614SOL OW 4840 1.040 1.028 3.558 0.0281 -1.1434 -0.2924 + 1614SOL HW1 4841 1.063 0.956 3.500 0.2089 -1.3955 0.0890 + 1614SOL HW2 4842 1.010 1.097 3.500 -1.5302 -2.0306 -0.5835 + 1615SOL OW 4843 0.114 3.592 0.789 0.1211 0.6993 0.3170 + 1615SOL HW1 4844 0.168 3.586 0.710 -1.0971 0.8536 -0.5471 + 1615SOL HW2 4845 0.147 3.670 0.834 -0.4949 1.7881 -1.0708 + 1616SOL OW 4846 2.242 1.497 2.431 0.4272 0.6581 0.3401 + 1616SOL HW1 4847 2.330 1.484 2.395 0.0663 1.0159 -0.6804 + 1616SOL HW2 4848 2.219 1.586 2.405 0.2351 0.9802 1.6217 + 1617SOL OW 4849 2.721 2.634 1.923 -0.4245 -0.1771 -0.0546 + 1617SOL HW1 4850 2.658 2.676 1.982 -0.6616 -0.2849 -0.2301 + 1617SOL HW2 4851 2.741 2.701 1.858 0.2894 0.1378 0.4913 + 1618SOL OW 4852 2.583 2.908 3.879 -0.2281 -0.6218 0.2271 + 1618SOL HW1 4853 2.581 2.815 3.901 -0.0983 -0.6036 0.3145 + 1618SOL HW2 4854 2.548 2.952 3.957 -1.2556 -0.6694 -0.1993 + 1619SOL OW 4855 2.470 2.680 1.790 0.0015 0.4640 0.4620 + 1619SOL HW1 4856 2.379 2.679 1.759 -0.3508 0.4082 1.4760 + 1619SOL HW2 4857 2.465 2.717 1.878 0.6792 -1.5775 1.3896 + 1620SOL OW 4858 2.497 1.430 2.271 -0.3605 0.0735 0.0992 + 1620SOL HW1 4859 2.520 1.454 2.181 0.2676 1.1434 0.5415 + 1620SOL HW2 4860 2.479 1.336 2.266 3.4620 -0.7228 -0.4196 + 1621SOL OW 4861 2.361 0.370 2.550 -0.0675 0.3831 0.5361 + 1621SOL HW1 4862 2.366 0.287 2.597 3.5269 1.3987 2.2149 + 1621SOL HW2 4863 2.293 0.420 2.595 -2.9403 -1.9401 -1.1075 + 1622SOL OW 4864 0.159 2.286 1.652 0.3746 0.4109 -0.4648 + 1622SOL HW1 4865 0.205 2.280 1.736 -1.8390 -0.3025 0.7318 + 1622SOL HW2 4866 0.211 2.231 1.593 0.2746 -1.6051 1.2434 + 1623SOL OW 4867 3.052 3.877 3.658 -0.2422 0.2074 0.3469 + 1623SOL HW1 4868 3.071 3.830 3.576 -0.5036 1.3356 -0.3736 + 1623SOL HW2 4869 2.961 3.856 3.677 0.5497 -2.1250 1.7474 + 1624SOL OW 4870 0.974 3.236 0.111 0.0882 0.4711 -0.3235 + 1624SOL HW1 4871 0.930 3.214 0.193 -0.1738 0.0905 -0.5635 + 1624SOL HW2 4872 0.921 3.193 0.043 0.5952 0.3478 -0.6467 + 1625SOL OW 4873 3.399 3.262 1.251 -0.1480 -0.0374 -0.0801 + 1625SOL HW1 4874 3.362 3.349 1.268 0.1259 0.1674 -0.5321 + 1625SOL HW2 4875 3.355 3.232 1.171 1.2709 0.5684 -1.1111 + 1626SOL OW 4876 2.953 3.079 1.324 0.3284 -0.0586 0.2790 + 1626SOL HW1 4877 2.890 3.016 1.288 0.5142 -0.5257 0.7849 + 1626SOL HW2 4878 3.031 3.027 1.343 0.6769 0.4257 0.1707 + 1627SOL OW 4879 3.266 1.743 2.366 0.8361 0.3060 0.2218 + 1627SOL HW1 4880 3.332 1.726 2.299 0.6614 -1.6080 0.5043 + 1627SOL HW2 4881 3.202 1.800 2.322 1.8600 0.8819 -0.5346 + 1628SOL OW 4882 3.939 2.933 0.919 -0.6668 -0.0939 -0.7604 + 1628SOL HW1 4883 3.844 2.932 0.905 -0.8032 2.0793 -0.1452 + 1628SOL HW2 4884 3.950 2.983 1.000 0.9677 -0.9837 -0.4178 + 1629SOL OW 4885 3.073 1.569 0.430 -0.9608 -1.0988 -0.1841 + 1629SOL HW1 4886 3.145 1.560 0.492 1.0829 -0.5645 -2.4223 + 1629SOL HW2 4887 3.079 1.660 0.400 -2.8595 -0.9188 -0.0809 + 1630SOL OW 4888 0.867 2.378 0.475 -0.4640 0.0601 0.5718 + 1630SOL HW1 4889 0.872 2.391 0.569 0.7833 0.5468 0.4377 + 1630SOL HW2 4890 0.776 2.399 0.453 -0.2395 1.8778 1.3613 + 1631SOL OW 4891 2.772 1.475 2.119 -0.3560 -0.0320 0.0324 + 1631SOL HW1 4892 2.796 1.561 2.083 -0.8543 -0.4860 -1.4021 + 1631SOL HW2 4893 2.701 1.444 2.062 -0.8400 -0.9663 1.1326 + 1632SOL OW 4894 2.584 2.610 2.361 -0.1761 0.0460 -0.6097 + 1632SOL HW1 4895 2.551 2.521 2.347 0.6016 -0.4667 0.7077 + 1632SOL HW2 4896 2.655 2.599 2.424 1.1542 1.3973 -1.8528 + 1633SOL OW 4897 3.463 2.719 1.142 -0.8312 -0.2157 0.0331 + 1633SOL HW1 4898 3.481 2.736 1.049 1.0055 -1.5047 0.1177 + 1633SOL HW2 4899 3.522 2.779 1.188 -1.2770 -0.0311 0.3572 + 1634SOL OW 4900 3.607 2.652 3.860 -0.2210 -0.2599 0.0024 + 1634SOL HW1 4901 3.618 2.728 3.803 1.7649 -0.8717 -0.4597 + 1634SOL HW2 4902 3.512 2.637 3.862 -0.8748 3.5007 1.8066 + 1635SOL OW 4903 2.661 2.162 1.940 -0.0705 -0.0515 -0.6236 + 1635SOL HW1 4904 2.662 2.254 1.915 -1.7991 -0.3451 -1.8931 + 1635SOL HW2 4905 2.600 2.121 1.878 0.8230 -2.0774 -0.2098 + 1636SOL OW 4906 2.119 3.202 1.137 0.5321 0.1975 -0.6639 + 1636SOL HW1 4907 2.063 3.191 1.213 1.6642 -1.2351 0.0021 + 1636SOL HW2 4908 2.193 3.255 1.169 -0.2647 1.8042 -1.4473 + 1637SOL OW 4909 2.277 2.227 2.050 -0.0091 -0.5204 0.1971 + 1637SOL HW1 4910 2.298 2.195 2.138 1.8217 -1.1221 -0.4307 + 1637SOL HW2 4911 2.233 2.153 2.008 0.3197 -0.7051 0.1745 + 1638SOL OW 4912 2.804 3.752 2.593 0.3198 -0.2296 -0.6969 + 1638SOL HW1 4913 2.797 3.698 2.672 2.1649 1.0283 0.3719 + 1638SOL HW2 4914 2.874 3.710 2.542 -1.3676 -1.4703 -2.0489 + 1639SOL OW 4915 1.936 2.912 3.512 -0.0411 -0.0860 0.0696 + 1639SOL HW1 4916 1.843 2.910 3.489 -0.1466 -0.2503 0.4922 + 1639SOL HW2 4917 1.954 2.824 3.545 0.1375 0.0971 0.4658 + 1640SOL OW 4918 3.609 2.326 2.294 -0.1067 0.5655 -0.3861 + 1640SOL HW1 4919 3.642 2.355 2.209 1.4584 -0.2761 -0.1005 + 1640SOL HW2 4920 3.551 2.252 2.275 0.2772 0.3508 -0.7244 + 1641SOL OW 4921 0.232 0.337 1.371 -0.4303 0.2047 -0.4510 + 1641SOL HW1 4922 0.169 0.281 1.325 -2.3240 2.5625 -0.8625 + 1641SOL HW2 4923 0.255 0.288 1.449 -1.8841 -1.2467 -0.9008 + 1642SOL OW 4924 2.761 3.111 2.642 0.4950 0.0818 -0.2191 + 1642SOL HW1 4925 2.765 3.198 2.683 1.7238 0.2768 -0.7430 + 1642SOL HW2 4926 2.824 3.059 2.691 0.6910 -0.1704 -0.7390 + 1643SOL OW 4927 2.032 1.456 3.284 0.4154 0.1127 0.0954 + 1643SOL HW1 4928 2.118 1.487 3.257 0.1567 2.2754 1.6608 + 1643SOL HW2 4929 1.983 1.535 3.307 -2.3022 -0.9918 -1.5874 + 1644SOL OW 4930 3.100 1.975 2.215 0.0634 0.0681 -0.1511 + 1644SOL HW1 4931 3.029 1.924 2.177 0.5224 -1.2598 0.7290 + 1644SOL HW2 4932 3.090 2.063 2.178 -0.6803 -0.6870 -1.7761 + 1645SOL OW 4933 2.331 0.034 1.844 0.2051 0.7110 0.7436 + 1645SOL HW1 4934 2.284 0.070 1.919 1.1803 1.1982 1.1240 + 1645SOL HW2 4935 2.263 -0.007 1.790 -0.4780 0.2474 1.9561 + 1646SOL OW 4936 3.533 1.643 3.634 -0.0103 0.5566 0.0897 + 1646SOL HW1 4937 3.600 1.681 3.577 2.5648 -2.7385 0.7904 + 1646SOL HW2 4938 3.482 1.587 3.577 0.0068 0.3992 0.2294 + 1647SOL OW 4939 3.673 3.333 1.162 0.5940 0.2492 -1.0312 + 1647SOL HW1 4940 3.714 3.257 1.121 0.8404 0.7600 -1.7124 + 1647SOL HW2 4941 3.597 3.296 1.208 1.7659 -0.6857 0.2104 + 1648SOL OW 4942 2.437 0.064 1.142 0.0918 0.2990 -0.3581 + 1648SOL HW1 4943 2.497 -0.010 1.137 -1.0115 -0.6207 -0.1552 + 1648SOL HW2 4944 2.433 0.099 1.053 1.0876 0.5053 -0.3282 + 1649SOL OW 4945 2.550 2.143 1.694 0.2016 -0.0503 0.0884 + 1649SOL HW1 4946 2.555 2.155 1.599 -0.7908 2.3407 0.3067 + 1649SOL HW2 4947 2.547 2.232 1.729 0.2095 -0.9211 2.3426 + 1650SOL OW 4948 3.184 3.107 2.330 -0.0478 -0.4806 0.2739 + 1650SOL HW1 4949 3.112 3.047 2.348 0.0668 -0.7209 -0.0588 + 1650SOL HW2 4950 3.142 3.192 2.318 -0.1763 -0.4302 1.0802 + 1651SOL OW 4951 2.058 3.137 1.424 0.4134 0.1858 0.6219 + 1651SOL HW1 4952 2.085 3.061 1.475 1.9818 0.6778 0.5574 + 1651SOL HW2 4953 2.098 3.212 1.469 -0.6767 0.9227 0.3901 + 1652SOL OW 4954 0.528 0.270 3.822 0.2992 -0.8128 -0.3879 + 1652SOL HW1 4955 0.474 0.315 3.757 -1.2956 -1.4153 0.4727 + 1652SOL HW2 4956 0.618 0.284 3.793 -0.2124 1.7409 -0.9014 + 1653SOL OW 4957 3.636 3.447 1.814 -0.0298 -0.2619 0.5954 + 1653SOL HW1 4958 3.635 3.526 1.759 0.8829 0.1057 1.1027 + 1653SOL HW2 4959 3.632 3.480 1.904 5.1626 -0.5214 1.0611 + 1654SOL OW 4960 3.626 2.939 1.289 -0.0860 0.3411 0.0485 + 1654SOL HW1 4961 3.538 2.969 1.314 -1.2216 -2.9515 0.2759 + 1654SOL HW2 4962 3.667 2.916 1.372 -0.0712 -0.8669 -0.2924 + 1655SOL OW 4963 1.649 2.964 3.603 -0.0399 -0.0432 0.0692 + 1655SOL HW1 4964 1.560 2.967 3.568 -0.4634 -1.1715 1.0287 + 1655SOL HW2 4965 1.658 2.876 3.638 -0.1434 1.4347 4.1569 + 1656SOL OW 4966 1.918 3.566 3.216 -0.4957 0.3235 0.1201 + 1656SOL HW1 4967 1.952 3.544 3.129 -2.2745 0.0129 -0.5051 + 1656SOL HW2 4968 1.906 3.482 3.259 -1.8817 0.3517 -0.2037 + 1657SOL OW 4969 0.936 3.772 3.598 0.5587 -0.1049 0.2239 + 1657SOL HW1 4970 1.014 3.827 3.591 0.7262 -0.5327 -1.3510 + 1657SOL HW2 4971 0.960 3.705 3.663 1.9740 -0.9904 -1.1808 + 1658SOL OW 4972 0.973 3.422 2.043 -0.0203 0.4374 0.8250 + 1658SOL HW1 4973 0.971 3.496 1.983 -2.1136 -0.2717 -0.0306 + 1658SOL HW2 4974 0.893 3.431 2.095 -0.8832 -1.7889 -0.0466 + 1659SOL OW 4975 3.321 3.435 2.156 0.3043 -0.4576 -0.0806 + 1659SOL HW1 4976 3.393 3.459 2.214 -0.7582 1.3801 0.5392 + 1659SOL HW2 4977 3.349 3.463 2.069 0.0229 1.0104 0.2895 + 1660SOL OW 4978 0.312 3.509 0.224 -0.2013 0.1073 -0.2705 + 1660SOL HW1 4979 0.289 3.581 0.166 -0.1971 0.6785 0.4362 + 1660SOL HW2 4980 0.326 3.435 0.165 2.5957 1.3647 -1.2769 + 1661SOL OW 4981 3.451 1.621 3.106 0.2418 0.0652 -0.5594 + 1661SOL HW1 4982 3.510 1.641 3.033 1.7824 0.0691 0.6645 + 1661SOL HW2 4983 3.508 1.589 3.175 -1.3448 -1.0894 0.2439 + 1662SOL OW 4984 3.708 2.884 1.526 0.3749 -0.3877 0.2652 + 1662SOL HW1 4985 3.730 2.972 1.557 -0.3109 0.3118 -1.2068 + 1662SOL HW2 4986 3.792 2.839 1.519 0.7697 0.2964 0.5801 + 1663SOL OW 4987 2.470 3.412 2.483 0.2348 0.0405 0.3119 + 1663SOL HW1 4988 2.539 3.436 2.422 -0.4641 2.3637 0.4106 + 1663SOL HW2 4989 2.504 3.435 2.569 0.4105 -1.3694 0.6354 + 1664SOL OW 4990 0.238 2.758 3.933 0.2010 0.5675 0.2008 + 1664SOL HW1 4991 0.329 2.749 3.962 0.8701 1.0708 -1.6621 + 1664SOL HW2 4992 0.217 2.850 3.951 -0.7282 -0.1210 2.7735 + 1665SOL OW 4993 3.873 3.215 0.244 -0.0256 0.5156 -0.6859 + 1665SOL HW1 4994 3.951 3.243 0.195 0.1653 0.5489 -0.3618 + 1665SOL HW2 4995 3.900 3.135 0.289 0.4700 1.6826 1.1269 + 1666SOL OW 4996 0.969 2.311 3.678 0.6540 -0.0130 -0.5290 + 1666SOL HW1 4997 1.027 2.262 3.736 0.3769 -1.2277 -1.2573 + 1666SOL HW2 4998 0.981 2.403 3.704 -0.6140 -0.6274 2.5039 + 1667SOL OW 4999 3.705 0.044 3.685 -0.3195 -0.3669 -0.1766 + 1667SOL HW1 5000 3.690 -0.002 3.602 0.7384 0.5377 -0.8895 + 1667SOL HW2 5001 3.731 -0.025 3.746 -3.1235 -1.3410 -0.0190 + 1668SOL OW 5002 3.121 3.165 1.059 0.2921 0.2439 -0.3837 + 1668SOL HW1 5003 3.106 3.161 1.154 -0.2042 -1.3414 -0.5257 + 1668SOL HW2 5004 3.061 3.232 1.028 1.2974 1.6384 0.5762 + 1669SOL OW 5005 2.632 3.446 4.022 0.1101 -0.2695 0.0851 + 1669SOL HW1 5006 2.606 3.397 3.944 -2.0391 -1.3607 1.4343 + 1669SOL HW2 5007 2.566 3.514 4.031 0.3529 -0.1403 0.9448 + 1670SOL OW 5008 3.186 2.953 1.313 0.2174 -0.1204 -0.8565 + 1670SOL HW1 5009 3.194 2.864 1.279 -2.5160 -0.3623 -0.9762 + 1670SOL HW2 5010 3.275 2.977 1.340 1.0661 -2.6931 -1.2757 + 1671SOL OW 5011 1.057 3.074 1.707 -0.1939 0.4498 -0.5540 + 1671SOL HW1 5012 1.121 3.143 1.721 0.3610 0.0744 -1.2011 + 1671SOL HW2 5013 1.109 2.994 1.700 -0.9638 -0.4041 2.4609 + 1672SOL OW 5014 2.424 1.036 1.986 -0.1796 0.3182 -0.3196 + 1672SOL HW1 5015 2.484 0.962 1.995 0.1238 0.6452 0.3624 + 1672SOL HW2 5016 2.380 1.021 1.903 -0.2149 -0.7024 -0.1184 + 1673SOL OW 5017 3.892 0.726 1.786 0.1611 0.1734 0.2818 + 1673SOL HW1 5018 3.890 0.701 1.878 -2.7870 -2.0266 -0.2756 + 1673SOL HW2 5019 3.984 0.719 1.761 0.8241 -0.4406 2.7492 + 1674SOL OW 5020 -0.009 0.092 1.821 0.5669 -0.0492 -0.9983 + 1674SOL HW1 5021 0.064 0.152 1.836 1.1484 -0.6518 -1.4300 + 1674SOL HW2 5022 0.016 0.011 1.865 -0.9771 0.5394 1.0869 + 1675SOL OW 5023 3.853 3.462 0.380 -0.3249 -0.2967 0.0073 + 1675SOL HW1 5024 3.891 3.506 0.304 0.5247 -0.6231 0.2364 + 1675SOL HW2 5025 3.848 3.370 0.353 0.8139 -0.5627 0.6619 + 1676SOL OW 5026 0.093 3.012 0.644 0.2575 0.7155 -0.6106 + 1676SOL HW1 5027 0.095 2.957 0.723 -0.3457 -1.7314 -2.2542 + 1676SOL HW2 5028 0.180 3.002 0.605 0.3751 1.4860 -0.5503 + 1677SOL OW 5029 2.775 0.176 3.864 0.1902 0.0224 -0.1349 + 1677SOL HW1 5030 2.809 0.265 3.856 0.7570 -0.1948 -0.2167 + 1677SOL HW2 5031 2.688 0.186 3.903 0.5226 0.5574 0.4707 + 1678SOL OW 5032 -0.000 3.918 2.854 -0.5284 0.4841 0.3339 + 1678SOL HW1 5033 0.051 3.949 2.779 -1.9454 0.0962 -0.8165 + 1678SOL HW2 5034 -0.012 3.996 2.909 -0.2784 0.9874 -0.3176 + 1679SOL OW 5035 0.643 3.618 0.157 0.0354 0.6139 -0.6670 + 1679SOL HW1 5036 0.708 3.661 0.102 0.1936 0.7043 -0.4107 + 1679SOL HW2 5037 0.586 3.572 0.096 0.5694 0.2191 -0.8715 + 1680SOL OW 5038 3.642 0.793 3.412 0.0871 -0.2999 0.1003 + 1680SOL HW1 5039 3.614 0.704 3.393 -2.2247 0.4801 -0.2224 + 1680SOL HW2 5040 3.674 0.789 3.502 -2.4715 -0.9104 1.0150 + 1681SOL OW 5041 3.109 2.233 0.858 0.3665 -0.1840 0.0572 + 1681SOL HW1 5042 3.107 2.275 0.944 -2.2059 -1.5491 0.7148 + 1681SOL HW2 5043 3.202 2.218 0.841 0.9273 0.3073 2.5088 + 1682SOL OW 5044 2.953 2.508 0.108 -0.3509 -0.6441 0.6483 + 1682SOL HW1 5045 2.937 2.414 0.100 -2.6727 -0.2288 -0.1082 + 1682SOL HW2 5046 2.900 2.536 0.183 -2.3357 0.6001 -1.1632 + 1683SOL OW 5047 2.502 2.279 3.181 0.0578 0.4727 0.1770 + 1683SOL HW1 5048 2.491 2.187 3.204 -0.4897 0.9277 1.8256 + 1683SOL HW2 5049 2.516 2.279 3.086 -0.5312 -1.2515 0.0737 + 1684SOL OW 5050 3.148 0.637 0.284 -0.6415 -0.0265 0.1225 + 1684SOL HW1 5051 3.159 0.583 0.363 -0.0973 -0.8585 -0.5097 + 1684SOL HW2 5052 3.131 0.725 0.317 0.2559 -0.2368 1.1754 + 1685SOL OW 5053 2.764 3.533 1.425 -0.2838 -0.2331 -0.2581 + 1685SOL HW1 5054 2.748 3.556 1.517 0.3939 0.0296 -0.2008 + 1685SOL HW2 5055 2.811 3.450 1.429 0.4610 0.1830 -0.3357 + 1686SOL OW 5056 3.480 3.384 2.852 0.3379 -0.3962 0.2935 + 1686SOL HW1 5057 3.532 3.462 2.870 -1.4347 0.7398 0.5926 + 1686SOL HW2 5058 3.451 3.395 2.761 0.0094 -0.6629 0.3640 + 1687SOL OW 5059 3.643 0.854 1.763 -0.1838 0.5677 -0.3891 + 1687SOL HW1 5060 3.726 0.808 1.771 -0.5535 -0.1277 -0.5047 + 1687SOL HW2 5061 3.635 0.902 1.846 1.2367 2.1768 -1.1725 + 1688SOL OW 5062 0.262 3.384 3.124 -0.1613 0.3192 0.1196 + 1688SOL HW1 5063 0.305 3.311 3.169 -0.6802 0.6492 1.1901 + 1688SOL HW2 5064 0.222 3.345 3.047 0.2367 -0.3836 0.2639 + 1689SOL OW 5065 2.247 3.129 1.718 -0.4249 -0.0523 -0.3443 + 1689SOL HW1 5066 2.332 3.098 1.750 -1.7786 -0.8228 2.6878 + 1689SOL HW2 5067 2.196 3.146 1.797 -2.9966 0.7336 -2.0930 + 1690SOL OW 5068 1.941 2.989 3.127 -0.2501 -0.2096 0.1198 + 1690SOL HW1 5069 1.896 2.931 3.188 -0.8168 0.4782 0.3630 + 1690SOL HW2 5070 1.871 3.039 3.086 0.2167 0.1365 -0.2634 + 1691SOL OW 5071 2.596 1.311 1.046 0.5931 0.2414 -0.6250 + 1691SOL HW1 5072 2.599 1.258 1.126 2.9554 1.0567 -0.1097 + 1691SOL HW2 5073 2.508 1.299 1.012 -0.6703 0.3074 2.4337 + 1692SOL OW 5074 1.746 3.152 0.997 -0.3620 -0.2201 0.3121 + 1692SOL HW1 5075 1.768 3.240 0.965 -1.7574 0.1515 0.3313 + 1692SOL HW2 5076 1.831 3.108 1.008 0.2757 0.6190 -1.1227 + 1693SOL OW 5077 0.473 3.095 1.775 0.0716 0.1629 -0.4879 + 1693SOL HW1 5078 0.460 3.180 1.818 -1.3650 0.2815 -1.1305 + 1693SOL HW2 5079 0.509 3.118 1.689 -1.9506 0.2565 -1.3445 + 1694SOL OW 5080 2.301 3.460 0.866 0.0825 -0.4262 0.1080 + 1694SOL HW1 5081 2.299 3.526 0.796 1.7927 -1.5165 -1.0078 + 1694SOL HW2 5082 2.340 3.506 0.941 0.0179 0.2121 -0.2468 + 1695SOL OW 5083 2.221 2.903 2.493 0.5407 -0.2626 0.1892 + 1695SOL HW1 5084 2.191 2.851 2.418 2.3182 -0.0931 -0.6920 + 1695SOL HW2 5085 2.256 2.838 2.554 -1.1752 -0.4228 1.0048 + 1696SOL OW 5086 3.692 2.245 1.656 0.5750 -0.0068 -0.0961 + 1696SOL HW1 5087 3.607 2.249 1.699 1.2746 -0.2480 1.3455 + 1696SOL HW2 5088 3.755 2.234 1.728 1.7425 -0.7318 -1.2055 + 1697SOL OW 5089 3.443 0.335 1.970 -0.2069 0.1421 -0.3271 + 1697SOL HW1 5090 3.380 0.317 2.039 1.1063 -0.0020 0.8529 + 1697SOL HW2 5091 3.484 0.418 1.996 -1.0978 1.1275 -1.9661 + 1698SOL OW 5092 3.488 2.060 2.194 -0.2257 -0.0271 0.1246 + 1698SOL HW1 5093 3.399 2.093 2.204 -0.2085 0.2255 -0.5508 + 1698SOL HW2 5094 3.500 2.001 2.269 -0.0990 1.7896 1.5492 + 1699SOL OW 5095 3.176 2.858 3.002 -0.2631 -0.0626 0.1951 + 1699SOL HW1 5096 3.154 2.912 3.078 -2.2503 -0.8201 0.1850 + 1699SOL HW2 5097 3.238 2.794 3.036 -0.4188 0.1894 0.9740 + 1700SOL OW 5098 1.959 2.976 1.159 -0.8213 -0.2679 0.1242 + 1700SOL HW1 5099 2.035 3.033 1.172 0.6835 -2.5415 1.5271 + 1700SOL HW2 5100 1.967 2.944 1.069 0.9881 -2.0459 0.8948 + 1701SOL OW 5101 3.857 3.085 3.488 0.1914 -0.0157 0.0882 + 1701SOL HW1 5102 3.925 3.054 3.548 -0.7454 0.1097 1.2225 + 1701SOL HW2 5103 3.863 3.180 3.492 -0.8095 0.0233 1.0984 + 1702SOL OW 5104 3.472 2.963 1.816 0.3263 0.0895 -0.0910 + 1702SOL HW1 5105 3.532 2.965 1.890 -0.2009 0.4610 0.3219 + 1702SOL HW2 5106 3.509 3.026 1.754 1.0004 -0.5319 -0.3293 + 1703SOL OW 5107 3.018 2.946 0.924 -0.3446 -0.6602 -0.1353 + 1703SOL HW1 5108 2.981 2.983 0.844 -1.9068 -0.4079 0.6964 + 1703SOL HW2 5109 3.057 3.021 0.969 -0.7787 -0.5428 0.0504 + 1704SOL OW 5110 1.327 1.793 3.363 -0.2111 0.3956 -0.3537 + 1704SOL HW1 5111 1.402 1.750 3.403 -0.0861 0.3994 -0.5827 + 1704SOL HW2 5112 1.252 1.765 3.416 -0.0832 0.1792 -0.2854 + 1705SOL OW 5113 2.465 0.154 3.664 -0.5892 -0.6392 0.5486 + 1705SOL HW1 5114 2.390 0.194 3.710 0.1763 0.6406 0.7049 + 1705SOL HW2 5115 2.460 0.189 3.575 1.5551 1.8976 1.3552 + 1706SOL OW 5116 2.464 1.159 2.259 -0.7217 -0.0359 -0.0611 + 1706SOL HW1 5117 2.440 1.156 2.166 1.2240 1.0414 -0.6204 + 1706SOL HW2 5118 2.436 1.074 2.293 -0.7547 -0.7578 -1.8064 + 1707SOL OW 5119 2.483 3.779 0.833 -0.3387 0.1423 0.0431 + 1707SOL HW1 5120 2.453 3.845 0.770 -2.5424 -1.3991 -0.5685 + 1707SOL HW2 5121 2.520 3.709 0.778 -1.5937 -0.8770 0.4878 + 1708SOL OW 5122 1.256 1.429 2.263 0.2144 -0.0949 -0.1545 + 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0.750 2.900 3.767 0.2708 -0.4062 -0.1130 + 1770SOL HW1 5309 0.808 2.947 3.826 3.3910 -1.1798 -2.4668 + 1770SOL HW2 5310 0.697 2.969 3.726 0.7285 0.4703 0.7452 + 1771SOL OW 5311 3.262 1.127 3.826 0.2558 0.1729 0.5549 + 1771SOL HW1 5312 3.259 1.218 3.856 0.5957 -0.1195 1.4865 + 1771SOL HW2 5313 3.192 1.122 3.761 -1.7957 0.3357 2.6687 + 1772SOL OW 5314 2.774 2.501 0.314 0.4728 -0.3351 -0.1867 + 1772SOL HW1 5315 2.690 2.510 0.268 -0.1337 2.6747 1.3571 + 1772SOL HW2 5316 2.754 2.525 0.404 3.0490 0.6411 0.1495 + 1773SOL OW 5317 2.236 2.317 0.514 0.0079 0.2492 0.1804 + 1773SOL HW1 5318 2.311 2.300 0.572 1.1991 -0.4971 -1.5456 + 1773SOL HW2 5319 2.264 2.391 0.460 0.1039 -0.9294 -1.4385 + 1774SOL OW 5320 2.508 3.070 0.097 0.1232 -0.2566 -0.1615 + 1774SOL HW1 5321 2.495 3.110 0.183 0.7893 3.5204 -1.7478 + 1774SOL HW2 5322 2.421 3.074 0.056 -0.0782 -1.5960 0.0977 + 1775SOL OW 5323 2.101 2.235 1.326 -0.6154 -0.2002 -0.1671 + 1775SOL HW1 5324 2.063 2.149 1.342 1.3634 -1.3459 -1.3159 + 1775SOL HW2 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HW2 5763 1.785 3.402 3.618 0.1547 0.2283 -0.0726 + 1922SOL OW 5764 3.396 3.485 3.612 0.0447 -0.2990 0.0497 + 1922SOL HW1 5765 3.482 3.481 3.653 0.6656 0.6257 -1.1097 + 1922SOL HW2 5766 3.337 3.514 3.681 0.7978 -0.2118 0.6612 + 1923SOL OW 5767 1.088 0.294 2.679 0.0961 -0.1113 -0.1893 + 1923SOL HW1 5768 1.101 0.385 2.651 0.9867 -0.2730 -0.3139 + 1923SOL HW2 5769 1.003 0.269 2.640 -0.0549 0.5943 -0.3261 + 1924SOL OW 5770 2.150 3.151 3.130 0.1873 -0.4778 -0.2833 + 1924SOL HW1 5771 2.070 3.099 3.132 0.0361 -0.2407 -0.1741 + 1924SOL HW2 5772 2.151 3.190 3.043 0.6257 -1.1691 -0.5959 + 1925SOL OW 5773 3.396 2.482 2.488 -0.3389 0.2242 -0.0358 + 1925SOL HW1 5774 3.461 2.525 2.432 -0.2116 0.5191 0.3328 + 1925SOL HW2 5775 3.380 2.398 2.446 0.2140 0.1897 -0.1854 + 1926SOL OW 5776 2.487 3.429 2.969 -0.3014 -0.1088 -0.0734 + 1926SOL HW1 5777 2.535 3.354 2.932 -1.4079 -0.2192 -1.3161 + 1926SOL HW2 5778 2.456 3.477 2.892 0.2428 1.5363 0.7266 + 1927SOL OW 5779 3.533 3.223 1.669 -0.0346 -0.4168 -0.0350 + 1927SOL HW1 5780 3.600 3.176 1.720 1.1322 1.1560 -0.0645 + 1927SOL HW2 5781 3.542 3.314 1.697 -0.1352 0.2959 -2.2362 + 1928SOL OW 5782 0.520 0.243 3.192 -0.1177 -0.2629 -0.2671 + 1928SOL HW1 5783 0.497 0.151 3.203 -0.5585 -0.0760 0.3628 + 1928SOL HW2 5784 0.524 0.278 3.281 1.1049 0.0686 -0.4408 + 1929SOL OW 5785 1.957 2.240 2.608 0.2995 0.1804 0.3273 + 1929SOL HW1 5786 1.937 2.260 2.700 -1.9853 -1.4028 0.1966 + 1929SOL HW2 5787 1.949 2.324 2.563 0.6085 0.8097 1.4221 + 1930SOL OW 5788 2.652 0.480 2.615 0.1053 -0.3614 -0.0121 + 1930SOL HW1 5789 2.575 0.446 2.661 0.7744 0.4289 1.7224 + 1930SOL HW2 5790 2.619 0.555 2.565 -0.0493 0.7376 1.6893 + 1931SOL OW 5791 3.137 1.742 2.636 -0.6148 0.0541 -0.1489 + 1931SOL HW1 5792 3.199 1.712 2.570 0.1840 -1.3479 1.2063 + 1931SOL HW2 5793 3.128 1.836 2.619 1.5402 0.2035 -0.6600 + 1932SOL OW 5794 0.503 2.645 0.028 0.0266 -0.8182 0.3808 + 1932SOL HW1 5795 0.576 2.600 0.070 1.2866 -0.0007 -0.8474 + 1932SOL HW2 5796 0.472 2.708 0.093 1.0075 -0.5684 0.6141 + 1933SOL OW 5797 3.983 0.077 0.350 0.6385 -0.1447 0.4528 + 1933SOL HW1 5798 4.037 0.149 0.383 -0.0951 -0.1271 1.6732 + 1933SOL HW2 5799 3.894 0.109 0.358 0.3859 -0.5817 -0.5496 + 1934SOL OW 5800 3.631 2.633 0.221 -0.1633 0.0898 0.0401 + 1934SOL HW1 5801 3.713 2.640 0.270 -1.4940 -0.1229 2.3130 + 1934SOL HW2 5802 3.567 2.681 0.273 -2.0140 -1.6689 -0.5459 + 1935SOL OW 5803 3.910 2.478 2.233 0.0045 0.4670 0.5047 + 1935SOL HW1 5804 3.847 2.450 2.299 -1.5160 1.9269 -0.3045 + 1935SOL HW2 5805 3.874 2.559 2.197 1.0512 -0.0200 -1.7516 + 1936SOL OW 5806 1.673 0.594 0.317 -0.3652 -0.3849 0.3449 + 1936SOL HW1 5807 1.659 0.673 0.265 0.5429 -1.1540 -1.1075 + 1936SOL HW2 5808 1.707 0.530 0.255 3.1793 -0.5975 2.3680 + 1937SOL OW 5809 1.864 2.028 3.076 -0.5623 -0.4189 -0.2923 + 1937SOL HW1 5810 1.797 2.036 3.143 -0.7741 1.5648 -0.7050 + 1937SOL HW2 5811 1.816 2.029 2.993 -0.1407 -0.4771 -0.5424 + 1938SOL OW 5812 2.045 -0.003 0.372 0.8843 0.3980 -0.3109 + 1938SOL HW1 5813 2.027 0.087 0.343 -1.0911 0.8140 1.9776 + 1938SOL HW2 5814 1.959 -0.045 0.372 1.5920 -1.0542 0.0023 + 1939SOL OW 5815 1.720 3.904 2.847 0.5848 0.0684 -0.6970 + 1939SOL HW1 5816 1.775 3.951 2.910 2.1161 -1.7967 -0.5646 + 1939SOL HW2 5817 1.699 3.969 2.780 0.6279 1.5498 0.6922 + 1940SOL OW 5818 2.168 3.042 0.036 0.3834 -0.0109 0.0248 + 1940SOL HW1 5819 2.216 3.102 0.093 2.0405 -0.1818 -1.1610 + 1940SOL HW2 5820 2.188 3.072 -0.053 -1.8706 0.0360 -0.5061 + 1941SOL OW 5821 3.092 2.897 3.337 0.4017 -0.0210 -0.1079 + 1941SOL HW1 5822 3.031 2.930 3.402 -0.5086 1.8686 -1.8815 + 1941SOL HW2 5823 3.177 2.896 3.383 0.3325 4.0260 0.3235 + 1942SOL OW 5824 2.909 2.313 2.600 -0.3370 -0.5293 -0.1977 + 1942SOL HW1 5825 2.936 2.346 2.685 -0.0764 0.9165 -0.8123 + 1942SOL HW2 5826 2.889 2.221 2.614 -1.5933 0.0136 1.7190 + 1943SOL OW 5827 0.044 2.143 2.522 0.0104 -0.0791 -0.1410 + 1943SOL HW1 5828 0.010 2.107 2.603 -2.5550 1.0674 -0.6624 + 1943SOL HW2 5829 0.073 2.231 2.544 2.1305 -0.8008 0.1437 + 1944SOL OW 5830 2.658 1.279 1.924 0.2627 -0.3474 -0.6227 + 1944SOL HW1 5831 2.596 1.351 1.938 0.0448 -0.2051 -2.2171 + 1944SOL HW2 5832 2.616 1.204 1.966 -0.1627 0.1491 -0.1442 + 1945SOL OW 5833 2.652 3.840 3.172 -0.2803 0.1666 -0.6941 + 1945SOL HW1 5834 2.600 3.775 3.218 -0.1471 0.8797 0.4989 + 1945SOL HW2 5835 2.696 3.889 3.241 -0.2213 1.3934 -1.5664 + 1946SOL OW 5836 0.770 3.369 3.054 -0.8097 -0.0982 0.3484 + 1946SOL HW1 5837 0.685 3.404 3.029 -0.6215 -0.9031 -1.5123 + 1946SOL HW2 5838 0.761 3.274 3.043 0.7538 -0.0762 -1.2102 + 1947SOL OW 5839 2.869 1.897 3.076 -0.4233 0.1250 -0.2826 + 1947SOL HW1 5840 2.934 1.871 3.011 1.2597 0.8473 1.0648 + 1947SOL HW2 5841 2.799 1.833 3.067 0.2680 -0.3993 -2.0752 + 1948SOL OW 5842 3.900 2.057 3.299 0.2877 0.2370 -0.1058 + 1948SOL HW1 5843 3.983 2.090 3.334 -0.5324 0.3743 1.7688 + 1948SOL HW2 5844 3.854 2.136 3.270 0.3271 0.2809 -0.0505 + 1949SOL OW 5845 1.674 3.325 0.183 -0.1186 -0.1065 0.1519 + 1949SOL HW1 5846 1.724 3.402 0.209 -0.5071 0.3220 -0.3523 + 1949SOL HW2 5847 1.720 3.291 0.106 0.5778 -0.9127 0.9196 + 1950SOL OW 5848 2.759 3.093 3.789 -0.3931 -0.4308 0.5414 + 1950SOL HW1 5849 2.688 3.151 3.764 0.8247 1.3964 1.2264 + 1950SOL HW2 5850 2.716 3.011 3.814 -2.2898 0.8834 1.6592 + 1951SOL OW 5851 2.853 2.023 1.718 -0.0900 -0.2768 0.3558 + 1951SOL HW1 5852 2.768 2.010 1.759 0.4017 0.9344 1.8010 + 1951SOL HW2 5853 2.874 2.115 1.734 0.2409 0.1798 -2.4280 + 1952SOL OW 5854 2.146 1.321 3.811 0.7119 -0.2774 -0.1083 + 1952SOL HW1 5855 2.143 1.290 3.902 -3.5102 2.3587 0.8171 + 1952SOL HW2 5856 2.115 1.246 3.760 -0.3109 -0.6781 1.0581 + 1953SOL OW 5857 1.818 2.856 2.462 -0.0122 0.2465 0.6337 + 1953SOL HW1 5858 1.833 2.901 2.379 0.6948 0.7421 1.0301 + 1953SOL HW2 5859 1.834 2.922 2.529 2.6278 -0.9727 1.2860 + 1954SOL OW 5860 0.424 1.706 3.887 0.4366 0.1930 0.0676 + 1954SOL HW1 5861 0.462 1.726 3.802 -0.9370 -1.0099 -0.8539 + 1954SOL HW2 5862 0.329 1.705 3.872 0.1427 0.4885 1.7163 + 1955SOL OW 5863 0.433 3.994 3.264 -0.1494 0.4353 -0.2047 + 1955SOL HW1 5864 0.348 3.954 3.243 0.9091 -1.2154 -1.4999 + 1955SOL HW2 5865 0.428 4.012 3.358 -1.2157 -1.4769 0.1342 + 1956SOL OW 5866 1.220 3.004 0.696 -0.6584 -0.9101 -0.3932 + 1956SOL HW1 5867 1.222 2.932 0.760 0.4603 -0.5332 0.0079 + 1956SOL HW2 5868 1.246 2.964 0.614 -1.4306 -1.2575 -0.4720 + 1957SOL OW 5869 2.258 2.477 3.528 -0.0953 -0.0368 -0.7389 + 1957SOL HW1 5870 2.334 2.426 3.501 -0.7159 -0.8331 -1.0089 + 1957SOL HW2 5871 2.190 2.412 3.547 -0.4139 0.6165 0.4374 + 1958SOL OW 5872 1.936 2.708 2.984 0.1242 -0.4016 -0.0053 + 1958SOL HW1 5873 2.022 2.687 2.947 -0.0759 -0.2296 -0.5739 + 1958SOL HW2 5874 1.947 2.795 3.023 0.7846 -1.2660 1.8100 + 1959SOL OW 5875 0.014 1.336 2.849 0.1567 -0.6367 0.5194 + 1959SOL HW1 5876 0.005 1.431 2.845 0.7740 -0.4727 2.6206 + 1959SOL HW2 5877 0.092 1.316 2.798 0.1576 0.0096 0.2727 + 1960SOL OW 5878 3.712 1.975 2.066 0.0814 0.2460 0.6233 + 1960SOL HW1 5879 3.638 2.023 2.103 -0.1406 -0.3626 0.9705 + 1960SOL HW2 5880 3.766 1.951 2.142 0.2268 0.0028 0.4459 + 1961SOL OW 5881 1.236 3.611 2.195 0.2456 0.6837 0.4278 + 1961SOL HW1 5882 1.286 3.593 2.275 0.2272 0.7794 0.4615 + 1961SOL HW2 5883 1.267 3.546 2.132 0.6993 0.9958 0.3243 + 1962SOL OW 5884 2.900 0.412 3.823 -0.0200 -0.5413 0.2617 + 1962SOL HW1 5885 2.852 0.493 3.802 -0.1284 -0.3152 1.3664 + 1962SOL HW2 5886 2.976 0.442 3.873 -0.1494 -1.1383 0.8178 + 1963SOL OW 5887 2.405 3.486 3.307 0.1549 -0.4545 0.6812 + 1963SOL HW1 5888 2.445 3.487 3.393 2.3352 -1.4142 -0.2810 + 1963SOL HW2 5889 2.375 3.576 3.293 1.1934 0.0758 1.7860 + 1964SOL OW 5890 2.822 3.313 2.892 -0.0419 -0.3396 0.6142 + 1964SOL HW1 5891 2.902 3.291 2.940 -0.0356 -2.0443 -0.1663 + 1964SOL HW2 5892 2.752 3.273 2.944 -0.1197 -1.3552 -0.2589 + 1965SOL OW 5893 3.354 3.637 0.605 -0.5043 -0.0011 -0.5047 + 1965SOL HW1 5894 3.442 3.622 0.571 -0.5256 0.8879 -0.9687 + 1965SOL HW2 5895 3.368 3.668 0.694 -0.3120 0.8597 -0.8285 + 1966SOL OW 5896 1.173 2.962 3.408 -0.1371 0.3318 -0.1707 + 1966SOL HW1 5897 1.093 3.006 3.434 0.9526 2.0805 0.3246 + 1966SOL HW2 5898 1.179 2.977 3.313 -0.3185 0.2991 -0.1879 + 1967SOL OW 5899 1.766 3.302 3.328 0.0955 -0.6941 -0.0836 + 1967SOL HW1 5900 1.706 3.359 3.280 -0.3509 -0.0150 1.2527 + 1967SOL HW2 5901 1.758 3.217 3.285 1.6571 0.4779 -2.8642 + 1968SOL OW 5902 3.437 3.800 2.495 0.1956 0.1205 -0.0451 + 1968SOL HW1 5903 3.451 3.888 2.532 1.1142 -0.9324 2.1764 + 1968SOL HW2 5904 3.379 3.757 2.558 -0.7368 -0.6881 -1.4315 + 1969SOL OW 5905 2.160 2.563 2.879 0.1903 0.4560 -0.2684 + 1969SOL HW1 5906 2.142 2.470 2.896 -1.3651 0.4457 -1.8102 + 1969SOL HW2 5907 2.220 2.589 2.949 1.1131 -1.8607 -0.1417 + 1970SOL OW 5908 3.875 3.145 2.374 0.0497 -0.3823 0.0711 + 1970SOL HW1 5909 3.812 3.201 2.330 -1.6562 -1.5308 0.9951 + 1970SOL HW2 5910 3.878 3.066 2.319 0.0541 -0.6627 0.4746 + 1971SOL OW 5911 3.175 1.155 2.769 -0.0818 0.3315 -0.0450 + 1971SOL HW1 5912 3.206 1.198 2.689 -1.5687 2.1581 0.3439 + 1971SOL HW2 5913 3.138 1.072 2.740 2.5652 -0.6123 -0.8385 + 1972SOL OW 5914 2.415 2.839 3.109 0.1790 0.0446 0.4421 + 1972SOL HW1 5915 2.414 2.765 3.169 -0.6602 -1.2021 -1.0793 + 1972SOL HW2 5916 2.338 2.890 3.133 -0.8114 -1.0748 -0.3352 + 1973SOL OW 5917 3.597 2.167 3.821 0.2879 -0.5755 0.0214 + 1973SOL HW1 5918 3.546 2.086 3.825 -0.3139 -0.2028 0.0911 + 1973SOL HW2 5919 3.653 2.164 3.899 -0.3005 -0.5615 0.4568 + 1974SOL OW 5920 0.137 1.316 2.214 0.7315 0.2893 -0.4972 + 1974SOL HW1 5921 0.127 1.264 2.134 1.1838 -1.2117 0.3950 + 1974SOL HW2 5922 0.229 1.343 2.213 0.6717 0.4842 -0.6218 + 1975SOL OW 5923 1.274 1.493 2.985 -0.9317 0.5169 -0.1010 + 1975SOL HW1 5924 1.358 1.466 3.023 0.4045 2.7561 -1.3295 + 1975SOL HW2 5925 1.243 1.416 2.937 0.0911 -0.5293 0.8875 + 1976SOL OW 5926 1.762 2.790 3.253 -0.2823 0.2875 0.1386 + 1976SOL HW1 5927 1.799 2.738 3.325 0.5631 0.5404 -0.1049 + 1976SOL HW2 5928 1.719 2.863 3.296 -0.5348 -0.0350 0.4338 + 1977SOL OW 5929 3.462 0.072 2.625 -0.1539 0.1575 -0.3748 + 1977SOL HW1 5930 3.485 0.070 2.718 -0.5288 1.5188 -0.2345 + 1977SOL HW2 5931 3.366 0.066 2.624 -0.0826 -1.0250 -0.7389 + 1978SOL OW 5932 0.197 0.266 1.837 -0.4998 0.4019 -0.0184 + 1978SOL HW1 5933 0.203 0.356 1.868 -0.7248 0.8312 -1.2226 + 1978SOL HW2 5934 0.200 0.213 1.917 0.6318 1.4272 0.6260 + 1979SOL OW 5935 2.361 2.071 3.463 0.1881 0.0108 0.4387 + 1979SOL HW1 5936 2.326 1.997 3.414 0.0693 1.4263 -1.6484 + 1979SOL HW2 5937 2.455 2.055 3.467 0.2290 0.0178 -0.4648 + 1980SOL OW 5938 1.466 2.568 3.906 0.3450 -0.1980 -0.5399 + 1980SOL HW1 5939 1.469 2.660 3.878 1.6835 -0.0421 0.0563 + 1980SOL HW2 5940 1.378 2.556 3.941 0.2136 0.9000 -0.4842 + 1981SOL OW 5941 2.943 0.986 1.613 -0.1799 -0.2237 0.0183 + 1981SOL HW1 5942 3.001 1.059 1.635 1.2803 -1.5423 0.6529 + 1981SOL HW2 5943 2.944 0.982 1.518 0.3280 0.1034 0.0081 + 1982SOL OW 5944 2.819 2.236 1.188 0.5342 -0.2327 0.5929 + 1982SOL HW1 5945 2.849 2.306 1.131 0.6779 -0.0039 0.9499 + 1982SOL HW2 5946 2.847 2.262 1.276 -1.2725 0.3094 1.0401 + 1983SOL OW 5947 0.515 3.984 1.798 0.1253 -0.4384 -0.4637 + 1983SOL HW1 5948 0.509 3.958 1.706 1.1172 0.0634 -0.6803 + 1983SOL HW2 5949 0.602 4.025 1.805 -0.4283 0.5978 0.4168 + 1984SOL OW 5950 0.507 1.551 3.537 -0.2831 0.3326 0.2652 + 1984SOL HW1 5951 0.466 1.534 3.622 -1.0186 2.5910 0.3781 + 1984SOL HW2 5952 0.449 1.614 3.494 -0.1934 -1.1719 -2.1500 + 1985SOL OW 5953 1.414 1.419 2.675 0.2077 0.4412 0.3336 + 1985SOL HW1 5954 1.494 1.443 2.722 0.1093 0.3503 0.5500 + 1985SOL HW2 5955 1.384 1.339 2.719 1.8754 -1.5104 -1.9420 + 1986SOL OW 5956 2.375 0.654 1.769 -0.3705 0.0353 0.2739 + 1986SOL HW1 5957 2.437 0.582 1.759 0.5217 0.6382 1.3209 + 1986SOL HW2 5958 2.295 0.613 1.802 0.5743 -0.3043 2.1981 + 1987SOL OW 5959 2.809 3.628 2.839 0.2379 0.5603 -0.3654 + 1987SOL HW1 5960 2.810 3.684 2.916 -3.6082 -1.4920 1.3241 + 1987SOL HW2 5961 2.843 3.544 2.868 -0.0107 0.1427 -1.2414 + 1988SOL OW 5962 3.266 0.227 2.213 0.0871 -0.2452 0.2389 + 1988SOL HW1 5963 3.280 0.258 2.302 0.8601 -0.7902 0.3075 + 1988SOL HW2 5964 3.194 0.281 2.180 -0.6680 -0.5009 1.4261 + 1989SOL OW 5965 2.686 1.982 2.145 0.2631 -0.3983 -0.1580 + 1989SOL HW1 5966 2.662 2.050 2.082 1.9922 -0.2146 -0.6340 + 1989SOL HW2 5967 2.639 2.007 2.225 0.0944 0.7961 -0.6113 + 1990SOL OW 5968 3.252 3.408 2.529 0.1670 0.4260 0.1180 + 1990SOL HW1 5969 3.187 3.396 2.459 1.2565 -0.1826 -0.8140 + 1990SOL HW2 5970 3.210 3.372 2.607 -0.9091 0.7338 -0.3133 + 1991SOL OW 5971 2.267 0.266 3.866 -0.2910 -0.7789 0.2762 + 1991SOL HW1 5972 2.243 0.266 3.958 1.4248 3.2607 0.8254 + 1991SOL HW2 5973 2.199 0.317 3.822 1.2791 1.1919 0.0753 + 1992SOL OW 5974 3.576 0.578 2.042 -0.1571 0.5743 0.1744 + 1992SOL HW1 5975 3.670 0.588 2.031 -0.3167 0.5747 -1.3143 + 1992SOL HW2 5976 3.564 0.562 2.136 1.2950 0.8030 0.4057 + 1993SOL OW 5977 2.163 0.981 2.287 0.2553 -0.5003 -0.3446 + 1993SOL HW1 5978 2.230 0.970 2.354 -0.6965 -2.0701 0.3910 + 1993SOL HW2 5979 2.150 1.075 2.281 -0.1797 -0.3644 2.2559 + 1994SOL OW 5980 1.497 1.533 3.151 0.1963 0.2992 -0.0755 + 1994SOL HW1 5981 1.556 1.570 3.216 -0.8277 0.9163 0.5330 + 1994SOL HW2 5982 1.413 1.576 3.169 0.1805 1.3720 -2.5597 + 1995SOL OW 5983 2.322 3.325 2.048 0.2049 -0.1784 -0.2406 + 1995SOL HW1 5984 2.300 3.340 1.956 0.3311 -0.3032 -0.2922 + 1995SOL HW2 5985 2.239 3.304 2.090 0.2924 -1.1316 -0.5289 + 1996SOL OW 5986 2.687 2.127 3.043 -0.3610 -0.0028 -0.0274 + 1996SOL HW1 5987 2.650 2.055 3.094 0.4347 1.3862 2.5586 + 1996SOL HW2 5988 2.763 2.088 2.998 -1.2429 -1.2998 -0.4234 + 1997SOL OW 5989 0.077 1.107 3.181 -0.2688 0.1159 0.2132 + 1997SOL HW1 5990 0.107 1.095 3.271 -1.6433 1.0724 0.8035 + 1997SOL HW2 5991 0.030 1.026 3.161 0.2046 -0.1785 0.2911 + 1998SOL OW 5992 3.788 2.861 0.032 -0.2418 -0.1218 -0.2735 + 1998SOL HW1 5993 3.807 2.864 0.126 1.8636 -1.3219 -0.6397 + 1998SOL HW2 5994 3.754 2.773 0.018 -0.2282 -0.0583 -0.7039 + 1999SOL OW 5995 3.482 3.483 2.389 0.1046 -0.2326 0.5109 + 1999SOL HW1 5996 3.489 3.578 2.391 0.5902 -0.2833 1.2663 + 1999SOL HW2 5997 3.395 3.465 2.426 -0.6216 -0.0162 -1.0548 + 2000SOL OW 5998 2.240 3.675 0.249 -0.6476 -0.5379 0.0501 + 2000SOL HW1 5999 2.289 3.729 0.312 -0.4734 -0.5008 -0.1151 + 2000SOL HW2 6000 2.155 3.662 0.290 -1.5142 1.7827 -0.9119 + 2001SOL OW 6001 0.906 0.744 2.514 -0.3937 -0.3499 -0.1495 + 2001SOL HW1 6002 0.879 0.786 2.595 0.0973 0.3332 -0.3358 + 2001SOL HW2 6003 0.829 0.694 2.486 -0.7493 -0.1347 0.4341 + 2002SOL OW 6004 3.337 0.957 0.624 0.5200 0.6238 -0.2091 + 2002SOL HW1 6005 3.314 0.997 0.540 2.6593 -0.3993 -1.3084 + 2002SOL HW2 6006 3.430 0.973 0.633 0.4612 0.0278 1.6239 + 2003SOL OW 6007 1.985 2.293 1.651 -0.1269 0.0488 -0.0700 + 2003SOL HW1 6008 2.023 2.212 1.617 0.5727 1.1429 -1.9404 + 2003SOL HW2 6009 2.039 2.314 1.728 0.6995 -0.4257 -0.5069 + 2004SOL OW 6010 3.224 1.548 2.983 0.3934 0.1039 -0.0247 + 2004SOL HW1 6011 3.305 1.590 3.010 0.4620 0.4851 -0.8011 + 2004SOL HW2 6012 3.246 1.504 2.901 0.5816 -2.2948 1.2718 + 2005SOL OW 6013 1.338 3.586 3.751 0.3134 -0.1766 -1.0742 + 2005SOL HW1 6014 1.403 3.523 3.785 1.4792 1.6195 0.1543 + 2005SOL HW2 6015 1.266 3.581 3.813 1.0038 0.6666 -0.1797 + 2006SOL OW 6016 3.591 3.532 1.365 0.4734 -0.7764 0.1301 + 2006SOL HW1 6017 3.627 3.615 1.332 -0.0324 1.0227 3.9262 + 2006SOL HW2 6018 3.617 3.467 1.299 1.9803 2.1636 -2.2800 + 2007SOL OW 6019 2.442 2.985 2.326 -0.3662 0.3593 -0.5603 + 2007SOL HW1 6020 2.447 2.899 2.285 1.4046 1.5848 -3.0471 + 2007SOL HW2 6021 2.510 2.983 2.394 1.5111 0.6551 -2.3814 + 2008SOL OW 6022 2.381 2.870 3.636 0.0839 -0.2800 0.0788 + 2008SOL HW1 6023 2.397 2.884 3.543 -1.4943 -0.9831 -0.3061 + 2008SOL HW2 6024 2.415 2.949 3.678 0.8641 0.0125 -1.0776 + 2009SOL OW 6025 0.624 3.471 3.827 0.2722 -0.0197 -0.1293 + 2009SOL HW1 6026 0.715 3.443 3.831 0.4301 0.5561 0.3880 + 2009SOL HW2 6027 0.628 3.567 3.825 -0.3130 0.0056 -0.2309 + 2010SOL OW 6028 1.267 3.813 2.463 -0.4276 -0.0100 -0.3409 + 2010SOL HW1 6029 1.260 3.907 2.448 -1.1296 0.2199 1.3589 + 2010SOL HW2 6030 1.185 3.789 2.506 1.0147 -0.8600 2.0012 + 2011SOL OW 6031 3.107 2.483 1.701 -0.1366 0.0302 0.1366 + 2011SOL HW1 6032 3.187 2.447 1.740 -0.5564 -2.2864 -1.1202 + 2011SOL HW2 6033 3.126 2.490 1.608 -0.3525 2.3952 0.2200 + 2012SOL OW 6034 3.313 1.303 3.276 -0.8428 0.4555 0.0947 + 2012SOL HW1 6035 3.252 1.252 3.328 -0.6497 1.4064 1.2717 + 2012SOL HW2 6036 3.295 1.394 3.300 0.9840 0.7532 0.4045 + 2013SOL OW 6037 2.337 0.988 2.523 -0.2188 0.0178 -0.3947 + 2013SOL HW1 6038 2.401 1.037 2.575 0.0739 1.3474 -1.9637 + 2013SOL HW2 6039 2.252 1.027 2.545 -0.0112 1.1039 -1.4612 + 2014SOL OW 6040 3.589 3.729 3.226 -0.3295 -0.0153 0.7876 + 2014SOL HW1 6041 3.616 3.680 3.148 -0.5568 0.2815 0.5194 + 2014SOL HW2 6042 3.513 3.780 3.197 0.3010 0.9944 0.8665 + 2015SOL OW 6043 3.452 2.418 0.236 -0.2855 -0.0125 -0.7257 + 2015SOL HW1 6044 3.477 2.326 0.232 1.3999 0.4914 -2.8170 + 2015SOL HW2 6045 3.535 2.466 0.230 -1.0256 1.6394 1.7321 + 2016SOL OW 6046 0.397 3.223 0.073 -0.5038 0.3802 0.2052 + 2016SOL HW1 6047 0.439 3.166 0.137 0.4230 2.2521 1.3097 + 2016SOL HW2 6048 0.460 3.231 0.002 -0.6554 0.0193 0.0254 + 2017SOL OW 6049 2.988 3.116 1.684 0.4698 0.7974 -0.2705 + 2017SOL HW1 6050 3.027 3.162 1.758 -0.1765 -2.0782 1.9722 + 2017SOL HW2 6051 3.055 3.054 1.657 0.4680 1.4161 -1.7236 + 2018SOL OW 6052 1.958 0.220 0.222 -0.3029 0.3733 0.4093 + 2018SOL HW1 6053 1.910 0.298 0.195 -2.4213 -1.1506 -0.3973 + 2018SOL HW2 6054 1.986 0.179 0.139 0.8971 0.3247 0.8241 + 2019SOL OW 6055 3.765 2.137 0.083 0.4217 -0.2727 -0.0026 + 2019SOL HW1 6056 3.801 2.226 0.086 0.4738 -0.3167 0.8172 + 2019SOL HW2 6057 3.840 2.080 0.069 0.4777 -0.2445 0.1871 + 2020SOL OW 6058 3.572 1.437 0.399 0.3007 0.3023 -0.3616 + 2020SOL HW1 6059 3.489 1.485 0.405 0.1126 0.2236 -2.1000 + 2020SOL HW2 6060 3.573 1.381 0.477 -2.7512 -1.9709 -1.8452 + 2021SOL OW 6061 3.156 3.611 0.211 -0.2804 -0.0363 -0.2476 + 2021SOL HW1 6062 3.096 3.682 0.187 -1.2351 -0.8650 -0.3560 + 2021SOL HW2 6063 3.131 3.538 0.154 0.5792 -0.5090 -0.0198 + 2022SOL OW 6064 2.119 2.796 2.269 -0.3722 -0.4209 0.6862 + 2022SOL HW1 6065 2.062 2.867 2.297 1.7923 1.6049 0.1064 + 2022SOL HW2 6066 2.093 2.779 2.178 0.8638 1.5383 -0.0868 + 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3.720 3.355 -0.4605 -2.2610 -1.7664 + 2062SOL HW2 6186 3.708 3.586 3.423 1.9002 -0.9290 1.4971 + 2063SOL OW 6187 2.638 2.909 2.496 0.1771 -0.5431 -0.2609 + 2063SOL HW1 6188 2.692 2.904 2.417 1.4049 -4.9765 0.7094 + 2063SOL HW2 6189 2.673 2.985 2.543 1.7213 0.1038 -2.3439 + 2064SOL OW 6190 3.461 0.090 0.185 0.2779 0.5831 0.0589 + 2064SOL HW1 6191 3.491 0.014 0.135 1.1381 -0.0603 1.5270 + 2064SOL HW2 6192 3.382 0.060 0.229 0.0617 0.8600 -0.1332 + 2065SOL OW 6193 0.099 3.255 2.206 -0.2595 0.8283 -0.1106 + 2065SOL HW1 6194 0.037 3.190 2.239 -0.4244 0.7300 -0.5945 + 2065SOL HW2 6195 0.109 3.317 2.277 -1.8477 1.4951 -0.4377 + 2066SOL OW 6196 1.254 3.073 1.116 0.2713 -0.1393 0.9415 + 2066SOL HW1 6197 1.297 3.001 1.070 1.3155 -0.8793 2.9903 + 2066SOL HW2 6198 1.168 3.038 1.140 0.3240 -0.2915 0.9074 + 2067SOL OW 6199 3.048 1.185 0.175 -0.7574 0.6272 -0.2519 + 2067SOL HW1 6200 3.102 1.123 0.126 -0.1998 -0.1862 1.3774 + 2067SOL HW2 6201 2.959 1.167 0.146 -0.5755 -0.7896 0.0405 + 2068SOL OW 6202 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1.9101 -0.2442 -0.0292 + 2135SOL HW2 6405 2.452 0.799 2.543 0.2352 1.6688 0.1672 + 2136SOL OW 6406 3.756 3.212 0.861 0.1444 -0.3391 0.0707 + 2136SOL HW1 6407 3.709 3.129 0.863 0.0877 -0.3029 0.1907 + 2136SOL HW2 6408 3.798 3.213 0.774 -1.0573 0.1735 -0.5159 + 4.00000 4.00000 4.00000 diff --git a/mbuild/tests/test_compound.py b/mbuild/tests/test_compound.py index bd80486d1..412da8442 100644 --- a/mbuild/tests/test_compound.py +++ b/mbuild/tests/test_compound.py @@ -990,6 +990,28 @@ def test_condense(self, ethane): == '{"Compound, 18 particles, 14 bonds, 4 children": {"children": ["[C x 2], 1 particles, 0 bonds, 0 children", {"[Ethane x 2], 8 particles, 7 bonds, 2 children": {"children": [{"[CH3 x 2], 4 particles, 3 bonds, 4 children": {"children": ["[C x 1], 1 particles, 4 bonds, 0 children", "[H x 3], 1 particles, 1 bonds, 0 children"]}}]}}]}}' ) + def test_condense_tip4p(self): + # tip4p has a virtual site that doesn't have an explicit bond with other particles + # this test is to ensure that this site doesn't get added twice when condense is called + import mbuild.lib.molecules.water as water_models + + water = water_models.WaterTIP4P() + water_list = [] + waters = mb.Compound() + system = mb.Compound() + for i in range(0, 3): + water_list.append(mb.clone(water)) + + waters.add(water_list) + system.add(waters) + + condensed = waters.condense(inplace=False) + + assert ( + condensed.print_hierarchy().to_json(with_data=False) + == '{"Compound, 12 particles, 6 bonds, 3 children": {"children": [{"[WaterTIP4P x 3], 4 particles, 2 bonds, 4 children": {"children": ["[HW1 x 1], 1 particles, 1 bonds, 0 children", "[HW2 x 1], 1 particles, 1 bonds, 0 children", "[MW x 1], 1 particles, 0 bonds, 0 children", "[OW x 1], 1 particles, 2 bonds, 0 children"]}}]}}' + ) + def test_flatten_eth(self, ethane): # Before flattening assert len(ethane.children) == 2 diff --git a/mbuild/tests/test_water_box.py b/mbuild/tests/test_water_box.py new file mode 100644 index 000000000..6b450c14f --- /dev/null +++ b/mbuild/tests/test_water_box.py @@ -0,0 +1,191 @@ +import numpy as np +import pytest + +import mbuild as mb +import mbuild.lib.molecules.water as water_models +from mbuild.exceptions import MBuildError +from mbuild.lib.recipes.water_box import Water3SiteBox +from mbuild.tests.base_test import BaseTest + + +class TestWaterBox(BaseTest): + def test_replicate(self): + temp_box = mb.Box([1.0, 1.0, 1.0]) + wb = Water3SiteBox(box=temp_box) + assert wb.n_particles == 72 + + temp_box = mb.Box([1.0, 1.0, 1.0]) + wb = Water3SiteBox(box=temp_box, edge=0.15) + assert wb.n_particles == 60 + + temp_box = mb.Box([2.0, 2.0, 2.0]) + wb = Water3SiteBox(box=temp_box) + assert wb.n_particles == 678 + + wb = Water3SiteBox(box=temp_box, edge=[0.2, 0.2, 0.2]) + assert wb.n_particles == 567 + + wb = Water3SiteBox(box=temp_box, edge=0.2) + assert wb.n_particles == 567 + + wb = Water3SiteBox(box=temp_box, edge=[0.2, 0.2, 0.5]) + assert wb.n_particles == 474 + + temp_box = mb.Box([8.0, 1.0, 1.0]) + wb = Water3SiteBox(box=temp_box) + assert wb.n_particles == 657 + assert wb.box == temp_box + + temp_box = mb.Box([1.0, 8.0, 1.0]) + wb = Water3SiteBox(box=temp_box) + assert wb.n_particles == 606 + assert wb.box == temp_box + + temp_box = mb.Box([1.0, 1.0, 8.0]) + wb = Water3SiteBox(box=temp_box) + assert wb.n_particles == 603 + assert wb.box == temp_box + + wb = Water3SiteBox(box=mb.Box([2.0, 5.5, 13.2])) + assert wb.n_particles == 13227 + + def test_mask(self, ethane): + box_temp = mb.Box([2.0, 2.0, 1.0]) + + grid_pattern = mb.Grid3DPattern(6, 6, 4) + grid_pattern.scale([2, 2, 1]) + ethane_system_list = grid_pattern.apply(ethane) + ethane_system = mb.Compound(ethane_system_list) + + wb = Water3SiteBox(box=mb.Box([2.0, 2.0, 2.0]), mask=ethane_system) + + assert wb.n_particles == 294 + + wb = Water3SiteBox( + box=mb.Box([2.0, 2.0, 2.0]), mask=ethane_system, radii_scaling=0.9 + ) + + assert wb.n_particles == 300 + + wb = Water3SiteBox( + box=mb.Box([2.0, 2.0, 2.0]), mask=[ethane_system], radii_scaling=0.9 + ) + + assert wb.n_particles == 300 + + wb = Water3SiteBox( + box=mb.Box([2.0, 2.0, 2.0]), mask=[ethane_system], radii_scaling=1.1 + ) + + assert wb.n_particles == 288 + + # test using the default cutoff for ethane + for part in ethane.particles(): + part.element = None + + grid_pattern = mb.Grid3DPattern(6, 6, 4) + grid_pattern.scale([2, 2, 1]) + ethane_system_list = grid_pattern.apply(ethane) + ethane_system = mb.Compound(ethane_system_list) + + wb = Water3SiteBox( + box=mb.Box([2.0, 2.0, 2.0]), mask=ethane_system, radii_overlap=0.1 + ) + + assert wb.n_particles == 297 + + wb = Water3SiteBox( + box=mb.Box([2.0, 2.0, 2.0]), mask=ethane_system, radii_overlap=0.2 + ) + + assert wb.n_particles == 264 + + wb = Water3SiteBox( + box=mb.Box([2.0, 2.0, 2.0]), + mask=ethane_system, + radii_dict={"C": 0.1, "H": 0.05}, + ) + + assert wb.n_particles == 327 + + wb = Water3SiteBox( + box=mb.Box([2.0, 2.0, 2.0]), + mask=ethane_system, + radii_dict={"C": 0.15, "H": 0.125}, + ) + + assert wb.n_particles == 291 + + def test_model(self): + wb = Water3SiteBox( + box=mb.Box([2.0, 2.0, 2.0]), model=water_models.WaterSPC() + ) + assert wb.children[0].name == "WaterSPC" + + parts = [p for p in wb.children[0].particles()] + oh_dist1 = np.linalg.norm(parts[0].pos - parts[1].pos) + oh_dist2 = np.linalg.norm(parts[0].pos - parts[2].pos) + assert np.isclose(oh_dist1, 0.1) + assert np.isclose(oh_dist2, 0.1) + + v1 = np.array(parts[1].pos) - np.array(parts[0].pos) + v2 = np.array(parts[2].pos) - np.array(parts[0].pos) + v1_u = v1 / np.linalg.norm(v1) + + v2_u = v2 / np.linalg.norm(v2) + angle = ( + np.arccos(np.clip(np.dot(v1_u, v2_u), -1.0, 1.0)) * 180.0 / np.pi + ) + + assert np.isclose(angle, 109.47) + + def test_incorrect_edge(self): + with pytest.raises(ValueError): + Water3SiteBox(box=mb.Box([2.0, 2.0, 2.0]), edge=[1, 2, 3, 4]) + + def test_incorrect_edge2(self): + with pytest.raises(ValueError): + Water3SiteBox(box=mb.Box([2.0, 2.0, 2.0]), edge=[1, 2]) + + def test_incorrect_mask(self): + with pytest.raises(MBuildError): + Water3SiteBox(box=mb.Box([2.0, 2.0, 2.0]), mask=[1, 2, 3, 4]) + + def test_incorrect_mask2(self): + with pytest.raises(MBuildError): + Water3SiteBox(box=mb.Box([2.0, 2.0, 2.0]), mask=1) + + def test_bad_model(self): + bad_model = mb.Compound() + oxygen = mb.Compound(name="O", element="O") + hydrogen = mb.Compound(name="H", element="H") + bad_model.add( + [mb.clone(hydrogen), mb.clone(oxygen), mb.clone(hydrogen)] + ) + + with pytest.raises(MBuildError): + Water3SiteBox(box=mb.Box([2.0, 2.0, 2.0]), model=bad_model) + + def test_bad_model2(self): + bad_model = mb.Compound() + oxygen = mb.Compound(name="O", element="O") + hydrogen = mb.Compound(name="H", element="H") + bad_model.add( + [mb.clone(hydrogen), mb.clone(oxygen), mb.clone(hydrogen)] + ) + + with pytest.raises(MBuildError): + Water3SiteBox(box=mb.Box([2.0, 2.0, 2.0]), model=[bad_model]) + + def test_bad_dict(self): + bad_model = mb.Compound() + oxygen = mb.Compound(name="O", element="O") + hydrogen = mb.Compound(name="H", element="H") + bad_model.add( + [mb.clone(hydrogen), mb.clone(oxygen), mb.clone(hydrogen)] + ) + + with pytest.raises(ValueError): + Water3SiteBox( + box=mb.Box([2.0, 2.0, 2.0]), mask=oxygen, radii_dict=[1.0, 2.0] + )