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{
"id": "jvasp-104142",
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{
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"structure_string": "H14 C16 N2 O2\n1.0\n3.901879 0.003666 -0.232060\n-0.484716 8.118676 -3.385422\n-0.028163 0.007034 9.539286\nH C N O\n14 16 2 2\ndirect\n0.872640 0.658795 0.249428 H\n0.753920 0.961930 0.874288 H\n0.753929 0.461932 0.374287 H\n0.319554 0.824242 0.337011 H\n0.205663 0.630809 0.460956 H\n0.205661 0.130809 0.960959 H\n0.566256 0.971451 0.252822 H\n0.319546 0.324241 0.837012 H\n0.127560 0.090669 0.175904 H\n0.127559 0.590664 0.675898 H\n0.179811 0.264893 0.350208 H\n0.179796 0.764888 0.850202 H\n0.872639 0.158793 0.749430 H\n0.566257 0.471450 0.752822 H\n0.604347 0.005898 0.535495 C\n0.669273 0.930634 0.754821 C\n0.669279 0.430635 0.254821 C\n0.735137 0.040524 0.685582 C\n0.735137 0.540525 0.185581 C\n0.469284 0.783787 0.675989 C\n0.469289 0.283789 0.175990 C\n0.604342 0.505899 0.035495 C\n0.591901 0.639649 0.975559 C\n0.359785 0.244827 0.023450 C\n0.425100 0.854016 0.453481 C\n0.425097 0.354016 0.953482 C\n0.591914 0.139649 0.475561 C\n0.317673 0.182272 0.256294 C\n0.317667 0.682268 0.756291 C\n0.359786 0.744826 0.523448 C\n0.540726 0.591822 0.822096 N\n0.540733 0.091823 0.322097 N\n0.594290 0.788111 0.063766 O\n0.594313 0.288111 0.563768 O\n",
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{
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"structure_string": "H14 C16 N2 O2\n1.0\n5.734309 0.014971 -1.588896\n-2.954681 6.860161 -1.761097\n-0.042366 0.041812 7.388674\nH C N O\n14 16 2 2\ndirect\n0.848955 0.029792 0.218771 H\n0.242617 0.174129 0.358119 H\n0.509380 0.249855 0.577060 H\n0.721597 0.505805 0.865052 H\n0.937117 0.315611 0.809248 H\n0.733932 0.453090 0.467020 H\n0.848841 0.529809 0.218440 H\n0.063362 0.326776 0.161939 H\n0.509512 0.749868 0.577415 H\n0.721724 0.005832 0.865396 H\n0.063485 0.826758 0.162267 H\n0.937244 0.815636 0.809596 H\n0.734057 0.953068 0.467350 H\n0.242739 0.674117 0.358473 H\n0.137044 0.363287 0.900385 C\n0.238677 0.381594 0.597863 C\n0.576131 0.466957 0.929016 C\n0.649600 0.482089 0.127456 C\n0.387530 0.302483 0.483600 C\n0.317963 0.407687 0.810438 C\n0.466193 0.426692 0.214287 C\n0.206934 0.368035 0.096891 C\n0.466315 0.926676 0.214618 C\n0.576253 0.966974 0.929354 C\n0.649719 0.982083 0.127786 C\n0.387656 0.802482 0.483940 C\n0.318088 0.907711 0.810775 C\n0.137171 0.863300 0.900723 C\n0.207058 0.868026 0.097220 C\n0.238802 0.881608 0.598193 C\n0.546865 0.931605 0.409360 N\n0.546740 0.431615 0.409026 N\n0.045220 0.901587 0.503630 O\n0.045091 0.401579 0.503312 O\n",
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{
"id": "jvasp-62144",
"created_at": "2022-09-04T14:35:49.200090Z",
"updated_at": "2022-09-04T14:35:49.200109Z",
"structure_string": "P4 Au4 Cl32\n1.0\n-5.663533 6.046486 7.976217\n5.663533 -6.046486 7.976217\n5.663533 6.046486 -7.976217\nP Au Cl\n4 4 32\ndirect\n0.749860 0.749860 -0.000000 P\n0.250141 0.250141 -0.000000 P\n0.249859 0.749859 0.500000 P\n0.750141 0.250141 0.500000 P\n0.250000 0.325616 0.575617 Au\n0.750000 0.674383 0.424383 Au\n0.250000 0.835338 0.085338 Au\n0.750001 0.164662 0.914662 Au\n0.223093 0.414148 0.992523 Cl\n0.441957 0.323537 0.765494 Cl\n0.558043 0.676463 0.234506 Cl\n0.941957 0.676463 0.618420 Cl\n0.105163 0.690752 0.085589 Cl\n0.394837 0.980426 0.085589 Cl\n0.894837 0.309247 0.914411 Cl\n0.605164 0.019574 0.914411 Cl\n0.250000 0.629876 0.879876 Cl\n0.750000 0.370124 0.120124 Cl\n0.250000 0.039605 0.289605 Cl\n0.750000 0.960395 0.710395 Cl\n0.058043 0.323537 0.381580 Cl\n0.604983 0.529466 0.424484 Cl\n0.895018 0.819502 0.424484 Cl\n0.395018 0.470534 0.575516 Cl\n0.421626 0.230570 0.007477 Cl\n0.078374 0.585852 0.308944 Cl\n0.723093 0.230570 0.308945 Cl\n0.776907 0.585852 0.007477 Cl\n0.578374 0.769430 0.992523 Cl\n0.921627 0.414148 0.691056 Cl\n0.276907 0.769430 0.691055 Cl\n0.238438 0.931384 0.526653 Cl\n0.095269 0.068615 0.807054 Cl\n0.404731 0.711784 0.473346 Cl\n0.761562 0.068616 0.473347 Cl\n0.738439 0.711784 0.807054 Cl\n0.904731 0.931385 0.192946 Cl\n0.104983 0.180497 0.575516 Cl\n0.261562 0.288215 0.192946 Cl\n0.595270 0.288215 0.526654 Cl\n",
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{
"id": "jvasp-96761",
"created_at": "2022-09-04T14:36:20.617661Z",
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"structure_string": "P4 Au4 Cl32\n1.0\n10.345849 -0.181486 -4.992841\n-6.734117 9.282698 -0.693665\n-0.121147 0.181486 11.486965\nP Au Cl\n4 4 32\ndirect\n-0.000000 0.250151 0.250151 P\n0.500000 0.749849 0.249849 P\n-0.000000 0.749849 0.749849 P\n0.500000 0.250151 0.750151 P\n0.085559 0.835559 0.250000 Au\n0.914441 0.164441 0.750000 Au\n0.424315 0.674315 0.750000 Au\n0.575685 0.325685 0.250000 Au\n0.309200 0.585939 0.078056 Cl\n0.690800 0.414061 0.921944 Cl\n0.992117 0.768856 0.578056 Cl\n0.710143 0.960143 0.750000 Cl\n0.289857 0.039857 0.250000 Cl\n0.119975 0.369975 0.750000 Cl\n0.880025 0.630025 0.250000 Cl\n0.914193 0.309410 0.895217 Cl\n0.914193 0.018977 0.604783 Cl\n0.085806 0.690590 0.104783 Cl\n0.085806 0.981024 0.395217 Cl\n0.618030 0.676389 0.941642 Cl\n0.234747 0.676389 0.558359 Cl\n0.765253 0.323611 0.441641 Cl\n0.381970 0.323612 0.058358 Cl\n0.424506 0.819907 0.895401 Cl\n0.424506 0.529105 0.604599 Cl\n0.575494 0.180093 0.104599 Cl\n0.575494 0.470895 0.395401 Cl\n0.007883 0.585940 0.776739 Cl\n0.192763 0.288283 0.260897 Cl\n0.807237 0.068134 0.095519 Cl\n0.472614 0.711718 0.404481 Cl\n0.472614 0.068134 0.760897 Cl\n0.807237 0.711718 0.739103 Cl\n0.192763 0.931867 0.904481 Cl\n0.527385 0.288283 0.595519 Cl\n0.690800 0.768856 0.276739 Cl\n0.992117 0.414061 0.223261 Cl\n0.007883 0.231144 0.421944 Cl\n0.309200 0.231144 0.723261 Cl\n0.527385 0.931866 0.239103 Cl\n",
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{
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"structure_string": "Ni2 Mo2 P16\n1.0\n3.146685 -5.450219 0.000000\n3.146685 5.450219 0.000000\n-0.000000 -0.000000 8.838607\nNi Mo P\n2 2 16\ndirect\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.333334 0.666668 0.250000 Mo\n0.666668 0.333334 0.750000 Mo\n0.045239 0.320727 0.653088 P\n0.275490 0.954763 0.653088 P\n0.679274 0.724512 0.653088 P\n0.275489 0.320727 0.846913 P\n0.679274 0.954763 0.846913 P\n0.045239 0.724512 0.846913 P\n0.666668 0.333334 0.463430 P\n0.333334 0.666668 0.536571 P\n0.954763 0.275490 0.153087 P\n0.333334 0.666668 0.963430 P\n0.724512 0.679274 0.153087 P\n0.320727 0.275489 0.346913 P\n0.724512 0.045239 0.346913 P\n0.954763 0.679274 0.346913 P\n0.666668 0.333334 0.036570 P\n0.320727 0.045239 0.153087 P\n",
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{
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"structure_string": "As2 Cl2 F16\n1.0\n5.409322 -0.029708 1.568657\n-0.144306 5.407479 1.568657\n0.380280 0.388424 9.918421\nAs Cl F\n2 2 16\ndirect\n0.499999 0.499999 0.500000 As\n0.000000 0.000000 0.000000 As\n0.401458 0.098541 0.250000 Cl\n0.598541 0.901458 0.750001 Cl\n0.724558 0.394895 0.366954 F\n0.105104 0.775442 0.133047 F\n0.275441 0.605104 0.633047 F\n0.894895 0.224557 0.866954 F\n0.369596 0.684539 0.355288 F\n0.815460 0.130402 0.144713 F\n0.103333 0.081230 0.336043 F\n0.296679 0.244092 0.535686 F\n0.255908 0.203319 0.964315 F\n0.703319 0.755907 0.464315 F\n0.744091 0.796680 0.035686 F\n0.581230 0.603332 0.836043 F\n0.896666 0.918769 0.663958 F\n0.418769 0.396667 0.163958 F\n0.184539 0.869597 0.855288 F\n0.630402 0.315460 0.644713 F\n",
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{
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"updated_at": "2022-09-04T14:38:01.641210Z",
"structure_string": "Bi2 Cl2 F16\n1.0\n5.085801 -0.084131 -0.421873\n-0.316959 5.709180 -0.104930\n-0.123874 0.034153 10.508914\nBi Cl F\n2 2 16\ndirect\n0.000000 0.000000 0.000000 Bi\n0.000000 -0.000000 0.500000 Bi\n0.570834 0.603236 0.248426 Cl\n0.429166 0.396764 0.751574 Cl\n0.188225 0.325905 0.570256 F\n0.811775 0.674095 0.429743 F\n0.118130 0.218813 0.851085 F\n0.881870 0.781187 0.148915 F\n0.642191 0.951568 0.894986 F\n0.357809 0.048432 0.105014 F\n0.818687 0.170812 0.351535 F\n0.644648 0.531961 0.669013 F\n0.355353 0.468039 0.330987 F\n0.601019 0.448166 0.888579 F\n0.398981 0.551834 0.111420 F\n0.300563 0.947727 0.390457 F\n0.699437 0.052273 0.609542 F\n0.181313 0.829187 0.648464 F\n0.888281 0.288174 0.090872 F\n0.111719 0.711826 0.909128 F\n",
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{
"id": "jvasp-32242",
"created_at": "2022-09-04T14:37:50.709836Z",
"updated_at": "2022-09-04T14:37:50.709857Z",
"structure_string": "Sb2 As2 F16\n1.0\n5.578779 -0.120510 0.000000\n-0.760149 6.920990 0.000000\n0.000000 0.000000 7.864369\nSb As F\n2 2 16\ndirect\n0.806336 0.217756 0.750000 Sb\n0.193664 0.782244 0.250000 Sb\n0.497016 0.689117 0.750000 As\n0.502984 0.310883 0.250000 As\n0.032287 0.446332 0.750000 F\n0.967713 0.553668 0.250000 F\n0.534624 0.373843 0.750000 F\n0.465376 0.626157 0.250000 F\n0.540842 0.994218 0.750000 F\n0.459158 0.005782 0.250000 F\n0.221105 0.784944 0.491856 F\n0.709189 0.702867 0.584300 F\n0.290811 0.297133 0.084300 F\n0.038972 0.044277 0.750000 F\n0.961028 0.955723 0.250000 F\n0.221105 0.784944 0.008144 F\n0.778895 0.215056 0.508144 F\n0.778895 0.215056 0.991856 F\n0.709189 0.702867 0.915700 F\n0.290811 0.297133 0.415700 F\n",
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"created_at": "2022-09-04T14:37:56.624755Z",
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"structure_string": "Sb2 Cl2 F16\n1.0\n5.084033 0.220909 -0.315084\n0.065553 5.599531 -0.009087\n-0.252552 0.249718 10.296942\nSb Cl F\n2 2 16\ndirect\n0.000000 0.000000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.574860 0.394005 0.748997 Cl\n0.425139 0.605996 0.251002 Cl\n0.885356 0.728460 0.589060 F\n0.114643 0.271540 0.410939 F\n0.820755 0.836460 0.862209 F\n0.179244 0.163540 0.137791 F\n0.879368 0.211772 0.635942 F\n0.120631 0.788228 0.364058 F\n0.280973 0.045116 0.893127 F\n0.397634 0.455134 0.613986 F\n0.602366 0.544866 0.386013 F\n0.373801 0.527168 0.840439 F\n0.626198 0.472833 0.159561 F\n0.668280 0.041339 0.399549 F\n0.331720 0.958661 0.600451 F\n0.719026 0.954884 0.106873 F\n0.170620 0.691655 0.067414 F\n0.829379 0.308345 0.932586 F\n",
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