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{
"id": "jvasp-57672",
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{
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{
"id": "jvasp-116700",
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"structure_string": "Fe22 B6 W1\n1.0\n6.344248 -0.000000 3.662854\n-4.229499 5.981415 0.000000\n-0.000000 -0.000000 7.325707\nFe B W\n22 6 1\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.250000 0.250000 Fe\n0.231605 0.615802 0.615803 Fe\n0.768395 0.152592 0.615802 Fe\n0.768394 0.615802 0.615802 Fe\n0.231605 0.615802 0.152592 Fe\n0.751336 0.375668 0.375668 Fe\n0.248663 0.872995 0.375668 Fe\n0.751336 0.375668 0.872996 Fe\n0.339059 0.338140 0.000919 Fe\n0.339059 0.000919 0.000919 Fe\n0.248664 0.375668 0.375668 Fe\n0.660941 0.660021 0.000919 Fe\n0.001838 0.000919 0.660022 Fe\n0.001838 0.000919 0.338140 Fe\n0.339059 0.000919 0.660022 Fe\n-0.001838 0.338140 0.000919 Fe\n0.339059 0.338140 0.660022 Fe\n0.660941 0.000919 0.338140 Fe\n-0.001838 0.660021 0.000920 Fe\n0.660941 0.660021 0.338140 Fe\n0.660941 0.000919 0.000919 Fe\n-0.000001 0.724898 0.275101 B\n0.550203 0.275101 0.724899 B\n-0.000001 0.724898 0.724899 B\n-0.000000 0.275101 0.724899 B\n0.449796 0.724898 0.275101 B\n-0.000000 0.275101 0.275101 B\n0.500000 0.749999 0.750000 W\n",
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{
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"structure_string": "Nb8 Pt1 Se20\n1.0\n9.981286 -0.026062 2.866787\n9.385786 3.396139 2.866787\n0.170818 0.029724 19.585460\nNb Pt Se\n8 1 20\ndirect\n0.077720 0.077720 0.091587 Nb\n0.922281 0.922280 0.908414 Nb\n0.329966 0.329965 0.811251 Nb\n0.670035 0.670035 0.188749 Nb\n0.269883 0.269883 0.279525 Nb\n0.730118 0.730117 0.720475 Nb\n0.150336 0.150335 0.556529 Nb\n0.849665 0.849665 0.443472 Nb\n0.500000 0.500000 0.000000 Pt\n0.793069 0.793067 0.914867 Se\n0.206932 0.206932 0.085133 Se\n0.522573 0.522572 0.867964 Se\n0.477428 0.477428 0.132036 Se\n0.668791 0.668791 0.324102 Se\n0.331210 0.331209 0.675898 Se\n0.744483 0.744482 0.572440 Se\n0.255518 0.255517 0.427560 Se\n0.801655 0.801656 0.173934 Se\n0.861700 0.861701 0.300757 Se\n0.623020 0.623018 0.987884 Se\n0.376982 0.376982 0.012116 Se\n0.069452 0.069452 0.229068 Se\n0.138301 0.138299 0.699243 Se\n0.595956 0.595956 0.483196 Se\n0.404045 0.404044 0.516804 Se\n0.549316 0.549315 0.611446 Se\n0.450685 0.450684 0.388554 Se\n0.198346 0.198344 0.826066 Se\n0.930549 0.930548 0.770932 Se\n",
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{
"id": "jvasp-117218",
"created_at": "2022-09-04T14:38:49.427263Z",
"updated_at": "2022-09-04T14:38:49.427278Z",
"structure_string": "Cu12 As4 S13\n1.0\n8.295095 -0.016881 -2.924073\n-4.092740 7.213131 -2.925967\n0.001375 0.006012 8.870421\nCu As S\n12 4 13\ndirect\n0.749363 0.494974 0.249707 Cu\n0.752422 0.252420 0.500069 Cu\n0.499729 0.245274 0.750349 Cu\n0.252436 0.752424 0.500039 Cu\n0.245356 0.499734 0.750427 Cu\n0.494944 0.749306 0.249634 Cu\n0.240527 0.044129 0.240473 Cu\n0.765376 0.765421 -0.000008 Cu\n0.043555 0.240270 0.240309 Cu\n0.803559 -0.000036 0.759761 Cu\n0.210746 0.210606 -0.000886 Cu\n0.000110 0.803769 0.759759 Cu\n0.529430 -0.000016 0.000003 As\n0.470155 0.470076 0.469927 As\n0.000232 0.000195 0.530101 As\n-0.000011 0.529399 -0.000031 As\n0.763309 0.523116 0.521272 S\n0.480496 0.003665 0.242087 S\n0.513622 0.513612 0.757022 S\n0.003638 0.480522 0.242081 S\n0.523026 0.763199 0.521166 S\n0.477459 0.240418 -0.000012 S\n0.001870 0.242091 0.478926 S\n0.761565 0.238357 0.757937 S\n0.756596 0.756610 0.242962 S\n0.238398 0.761581 0.757946 S\n0.242053 0.001869 0.478808 S\n0.240384 0.477345 -0.000018 S\n0.986038 0.986063 0.000184 S\n",
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{
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"created_at": "2022-09-04T14:38:49.439815Z",
"updated_at": "2022-09-04T14:38:49.439844Z",
"structure_string": "Mg16 Al12 Pt1\n1.0\n8.487440 -0.011258 2.934718\n-4.064071 7.451181 2.934718\n0.026939 0.045311 9.007916\nMg Al Pt\n16 12 1\ndirect\n0.992892 0.992891 0.009174 Mg\n0.582253 0.334827 0.017198 Mg\n0.317418 0.999197 0.398605 Mg\n0.353163 0.004397 0.004183 Mg\n0.677848 0.298057 0.309565 Mg\n0.007117 0.603337 0.676909 Mg\n0.603337 0.007117 0.676909 Mg\n0.298057 0.677848 0.309565 Mg\n0.714353 0.408304 0.596206 Mg\n0.999197 0.317418 0.398605 Mg\n0.408305 0.714353 0.596206 Mg\n0.334828 0.582253 0.017198 Mg\n0.610359 0.610359 0.328514 Mg\n0.011099 0.011098 0.650445 Mg\n0.695067 0.695066 0.702376 Mg\n0.004397 0.353163 0.004183 Mg\n0.371146 0.184169 0.632734 Al\n0.002299 0.813153 0.361451 Al\n0.007996 0.633461 0.179058 Al\n0.201195 0.820652 0.811634 Al\n0.820652 0.201195 0.811634 Al\n0.651544 0.836241 0.978114 Al\n0.813153 0.002299 0.361451 Al\n0.184169 0.371146 0.632734 Al\n0.364070 0.364070 0.826752 Al\n0.183902 0.183901 0.191055 Al\n0.836241 0.651544 0.978114 Al\n0.633461 0.007996 0.179058 Al\n0.317565 0.317564 0.360648 Pt\n",
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"created_at": "2022-09-04T14:38:51.663320Z",
"updated_at": "2022-09-04T14:38:51.663341Z",
"structure_string": "Cu10 Hg2 Sb4 S13\n1.0\n8.562090 -0.036608 -3.250546\n-4.087816 7.523330 -3.250546\n0.021878 0.036608 9.158327\nCu Hg Sb S\n10 2 4 13\ndirect\n0.230980 0.500000 0.730980 Cu\n0.500000 0.230980 0.730980 Cu\n0.250000 0.750000 0.500000 Cu\n0.500000 0.769020 0.269020 Cu\n0.769020 0.500000 0.269020 Cu\n0.750000 0.250000 0.500000 Cu\n0.221519 0.000000 0.221519 Cu\n-0.000000 0.778481 0.778481 Cu\n0.778481 0.000000 0.778481 Cu\n-0.000000 0.221519 0.221519 Cu\n0.758764 0.758765 -0.000001 Hg\n0.241235 0.241235 -0.000000 Hg\n0.536149 0.536149 0.550886 Sb\n0.985263 0.985263 0.449112 Sb\n0.014736 0.463851 -0.000000 Sb\n0.463851 0.014737 -0.000000 Sb\n0.480965 0.227816 0.469991 S\n0.000000 0.000000 0.000000 S\n0.744149 0.476368 -0.000001 S\n0.242176 0.772184 0.253149 S\n0.989026 0.519035 0.746850 S\n0.476367 0.744149 -0.000001 S\n0.519034 0.989026 0.746850 S\n0.772183 0.242176 0.253149 S\n0.255851 0.255851 0.732218 S\n0.757824 0.010974 0.530008 S\n0.010974 0.757824 0.530008 S\n0.523632 0.523632 0.267781 S\n0.227816 0.480965 0.469991 S\n",
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"structure_string": "Sc6 Al16 Os7\n1.0\n7.584929 -0.000000 4.379161\n2.528310 7.151139 4.379161\n-0.000000 -0.000000 8.758321\nSc Al Os\n6 16 7\ndirect\n0.713971 0.713971 0.286029 Sc\n0.286029 0.713971 0.286029 Sc\n0.713971 0.286029 0.286029 Sc\n0.286029 0.286029 0.713971 Sc\n0.713971 0.286029 0.713971 Sc\n0.286029 0.713971 0.713971 Sc\n0.338203 0.338203 0.338203 Al\n0.985391 0.338203 0.338203 Al\n0.338203 0.985391 0.338203 Al\n0.338203 0.338203 0.985391 Al\n0.661797 0.661797 0.661797 Al\n0.014609 0.661797 0.661797 Al\n0.661797 0.014609 0.661797 Al\n0.661797 0.661797 0.014609 Al\n0.637344 0.120886 0.120886 Al\n0.120886 0.637344 0.120886 Al\n0.120886 0.120886 0.637344 Al\n0.879115 0.879114 0.879114 Al\n0.362656 0.879114 0.879114 Al\n0.879115 0.362656 0.879114 Al\n0.879115 0.879114 0.362656 Al\n0.120886 0.120886 0.120886 Al\n0.000000 0.500000 -0.000000 Os\n0.000000 0.000000 0.000000 Os\n0.000000 0.000000 0.500000 Os\n0.500000 0.000000 0.500000 Os\n0.000000 0.500000 0.500000 Os\n0.500000 0.500000 -0.000000 Os\n0.500000 0.000000 -0.000000 Os\n",
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{
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"structure_string": "Na29\n1.0\n10.479629 -0.000000 -3.705108\n-5.239815 9.075625 -3.705108\n-0.000000 -0.000000 11.115325\nNa\n29\ndirect\n0.000000 0.000000 0.000000 Na\n0.810116 0.184865 0.810116 Na\n0.316530 0.316530 0.722519 Na\n0.000000 0.405989 0.683471 Na\n0.405989 0.000000 0.683471 Na\n0.000000 0.000000 0.640087 Na\n0.625252 0.815136 0.625252 Na\n0.815136 0.625251 0.625251 Na\n0.277482 0.594011 0.594011 Na\n0.594011 0.277481 0.594011 Na\n0.000000 0.683471 0.405990 Na\n0.683470 0.000000 0.405989 Na\n0.000000 0.189884 0.374749 Na\n0.184865 0.810116 0.810116 Na\n0.189884 0.000000 0.374749 Na\n0.316530 0.722519 0.316530 Na\n0.722519 0.316530 0.316530 Na\n0.594011 0.594011 0.277481 Na\n0.000000 0.374749 0.189884 Na\n0.374749 0.000000 0.189884 Na\n0.810117 0.810116 0.184865 Na\n0.405990 0.683470 0.000000 Na\n0.000000 0.640087 0.000000 Na\n0.683471 0.405989 0.000000 Na\n0.189884 0.374749 0.000000 Na\n0.374749 0.189884 0.000000 Na\n0.640087 0.000000 -0.000000 Na\n0.359913 0.359913 0.359913 Na\n0.625252 0.625251 0.815136 Na\n",
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{
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"created_at": "2022-09-04T14:38:49.220507Z",
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"structure_string": "Li4 Mn1 P6 O18\n1.0\n6.638374 0.115127 -2.623276\n-2.174226 6.472070 -2.539025\n0.463874 -0.389218 7.555465\nLi Mn P O\n4 1 6 18\ndirect\n0.389827 0.145143 0.572841 Li\n0.482998 0.529387 0.986201 Li\n0.602122 0.845724 0.416360 Li\n0.229902 0.941435 0.099892 Li\n0.796983 0.072282 0.927391 Mn\n0.994491 0.750694 0.323603 P\n0.220155 0.447215 0.247601 P\n0.317916 0.766040 0.672807 P\n0.680652 0.228306 0.330858 P\n0.009325 0.253653 0.676392 P\n0.776516 0.548317 0.749783 P\n0.293977 0.527211 0.500028 O\n0.092407 0.785898 0.566205 O\n0.771391 0.734634 0.260626 O\n0.379445 0.566038 0.212119 O\n0.010378 0.515073 0.195285 O\n0.345685 0.772343 0.878012 O\n0.845048 0.784531 0.864391 O\n0.704816 0.468243 0.497069 O\n0.231943 0.271176 0.741263 O\n0.657419 0.217001 0.123671 O\n0.987558 0.484194 0.804354 O\n0.619016 0.426912 0.785044 O\n0.480700 0.918593 0.665240 O\n0.909966 0.213510 0.435066 O\n0.521903 0.077335 0.339682 O\n0.863326 0.093657 0.689333 O\n0.143466 0.209401 0.129931 O\n0.140644 0.906057 0.308932 O\n",
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