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{
"id": "jvasp-110430",
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"structure_string": "Hf3 Pb1\n1.0\n4.454366 0.000000 0.000000\n0.000000 4.454366 0.000000\n0.000000 0.000000 4.454366\nHf Pb\n3 1\ndirect\n0.500000 0.000000 0.500000 Hf\n0.000000 0.500000 0.500000 Hf\n0.500000 0.500000 0.000000 Hf\n0.000000 0.000000 0.000000 Pb\n",
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{
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"structure_string": "Hf2 Fe1 Rh1\n1.0\n3.917314 0.000000 2.261663\n1.305771 3.693280 2.261663\n-0.000000 -0.000000 4.523325\nHf Fe Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Hf\n0.749999 0.750000 0.749999 Hf\n0.499999 0.500000 0.499999 Fe\n0.000000 0.000000 0.000000 Rh\n",
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{
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{
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"structure_string": "Si2 Ir6\n1.0\n4.649093 -0.000000 -2.551502\n-1.400308 4.433193 -2.551502\n-0.003386 -0.004621 5.505137\nSi Ir\n2 6\ndirect\n0.249999 0.750000 0.500000 Si\n0.749999 0.250000 0.500000 Si\n0.249999 0.250000 0.500000 Ir\n0.749999 0.750000 0.500000 Ir\n0.183675 0.683675 -0.000000 Ir\n0.316324 0.183676 -0.000000 Ir\n0.683675 0.816323 -0.000000 Ir\n0.816323 0.316324 -0.000000 Ir\n",
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{
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"structure_string": "Mn4 Ni2 N4\n1.0\n2.839083 -0.000000 0.000000\n0.000000 2.839119 0.000000\n-0.000000 -0.000000 11.603429\nMn Ni N\n4 2 4\ndirect\n0.250022 0.250000 0.909848 Mn\n0.250022 0.250000 0.590153 Mn\n0.749977 0.750000 0.090152 Mn\n0.749977 0.750000 0.409848 Mn\n0.249852 0.250000 0.250000 Ni\n0.750147 0.750000 0.750000 Ni\n0.249974 0.250000 0.411040 N\n0.249974 0.250000 0.088960 N\n0.750025 0.750000 0.588960 N\n0.750025 0.750000 0.911040 N\n",
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{
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"created_at": "2022-09-04T14:36:04.979486Z",
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"structure_string": "Li2 H40 C16 Br2 O8\n1.0\n6.312638 3.890178 -0.578819\n-6.312638 3.890178 0.578819\n0.226929 0.000000 11.929482\nLi H C Br O\n2 40 16 2 8\ndirect\n0.934295 0.934294 0.750000 Li\n0.065706 0.065706 0.250000 Li\n0.877130 0.365015 0.415386 H\n0.365015 0.877130 0.084614 H\n0.183163 0.898765 0.575135 H\n0.898765 0.183163 0.924865 H\n0.816837 0.101236 0.424865 H\n0.101236 0.816837 0.075135 H\n0.227042 0.787981 0.873623 H\n0.787981 0.227042 0.626377 H\n0.772959 0.212019 0.126377 H\n0.372492 0.923912 0.755692 H\n0.923912 0.372492 0.744307 H\n0.627509 0.076089 0.244308 H\n0.076089 0.627509 0.255692 H\n0.282374 0.653476 0.771250 H\n0.653476 0.282374 0.728750 H\n0.717627 0.346524 0.228750 H\n0.346524 0.717627 0.271250 H\n0.634986 0.122870 0.915386 H\n0.122870 0.634986 0.584614 H\n0.212019 0.772958 0.373623 H\n0.430403 0.234867 0.527397 H\n0.234868 0.430403 0.972603 H\n0.864469 0.701757 0.463699 H\n0.701757 0.864469 0.036300 H\n0.135532 0.298243 0.536300 H\n0.298244 0.135532 0.963699 H\n0.757715 0.540331 0.585078 H\n0.540331 0.757714 0.914921 H\n0.459669 0.242286 0.085078 H\n0.556719 0.892706 0.593438 H\n0.242286 0.459669 0.414921 H\n0.569598 0.765133 0.472603 H\n0.443282 0.107294 0.406562 H\n0.107294 0.443282 0.093438 H\n0.495386 0.629930 0.606275 H\n0.629930 0.495386 0.893725 H\n0.504614 0.370070 0.393725 H\n0.370070 0.504614 0.106275 H\n0.892706 0.556719 0.906562 H\n0.765133 0.569598 0.027397 H\n0.926321 0.252089 0.393866 C\n0.252089 0.926321 0.106134 C\n0.248963 0.780466 0.784279 C\n0.219535 0.751038 0.284279 C\n0.751038 0.219535 0.215720 C\n0.747912 0.073680 0.893866 C\n0.780466 0.248963 0.715720 C\n0.073680 0.747912 0.606134 C\n0.134919 0.306276 0.443688 C\n0.407793 0.223948 0.435451 C\n0.776052 0.592207 0.935451 C\n0.592207 0.776052 0.564549 C\n0.306276 0.134919 0.056312 C\n0.693725 0.865082 0.943687 C\n0.865082 0.693725 0.556312 C\n0.223948 0.407793 0.064549 C\n0.729231 0.729231 0.250000 Br\n0.270770 0.270770 0.750000 Br\n0.937654 0.251086 0.274053 O\n0.801558 0.835094 0.595670 O\n0.835094 0.801558 0.904330 O\n0.198443 0.164907 0.404330 O\n0.164907 0.198443 0.095670 O\n0.062346 0.748914 0.725947 O\n0.748915 0.062346 0.774053 O\n0.251086 0.937654 0.225947 O\n",
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{
"id": "jvasp-40005",
"created_at": "2022-09-04T14:37:51.993761Z",
"updated_at": "2022-09-04T14:37:51.993787Z",
"structure_string": "Ho1 Ta1 Ru2\n1.0\n-0.000000 3.257975 3.257975\n3.257975 0.000000 3.257975\n3.257975 3.257975 0.000000\nHo Ta Ru\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ho\n0.750002 0.750002 0.750002 Ta\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n",
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{
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"updated_at": "2022-09-04T14:37:29.713676Z",
"structure_string": "Hf6 Pb2\n1.0\n3.148926 -5.454101 0.000000\n3.148926 5.454101 0.000000\n0.000000 -0.000000 5.154199\nHf Pb\n6 2\ndirect\n0.163260 0.326519 0.250000 Hf\n0.673482 0.836741 0.250000 Hf\n0.163261 0.836741 0.250000 Hf\n0.836741 0.673482 0.750000 Hf\n0.326519 0.163260 0.750000 Hf\n0.836741 0.163261 0.750000 Hf\n0.333334 0.666668 0.750000 Pb\n0.666668 0.333334 0.250000 Pb\n",
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{
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"structure_string": "Th1 Si2 Ru3\n1.0\n2.824005 -4.891320 -0.000000\n2.824005 4.891320 0.000000\n-0.000000 0.000000 3.635277\nTh Si Ru\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Th\n0.666668 0.333334 0.000000 Si\n0.333334 0.666668 0.000000 Si\n0.500000 0.000000 0.500000 Ru\n0.000000 0.500000 0.500000 Ru\n0.500001 0.500001 0.500000 Ru\n",
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