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"id": "jvasp-116657",
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{
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"structure_string": "Zr1 Sb1 Ru2\n1.0\n3.982827 -0.000000 2.299486\n1.327609 3.755045 2.299486\n0.000000 0.000000 4.598972\nZr Sb Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500001 0.500000 Sb\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750001 0.750000 Ru\n",
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{
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"structure_string": "H16 N8 O12\n1.0\n7.237345 0.000000 -0.000000\n0.000000 7.708542 0.000000\n0.000000 0.000000 5.294557\nH N O\n16 8 12\ndirect\n0.700912 0.506824 0.591172 H\n0.918843 0.693220 0.968955 H\n0.581156 0.193220 0.531045 H\n0.081157 0.306780 0.468955 H\n0.418843 0.806780 0.031045 H\n0.081157 0.306780 0.031045 H\n0.418843 0.806780 0.468955 H\n0.581156 0.193220 0.968955 H\n0.918843 0.693220 0.531045 H\n0.200912 0.993176 0.091172 H\n0.299087 0.493176 0.091172 H\n0.299087 0.493176 0.408828 H\n0.799087 0.006824 0.908829 H\n0.799087 0.006824 0.591172 H\n0.700912 0.506824 0.908829 H\n0.200912 0.993176 0.408828 H\n0.030328 0.823163 0.250000 N\n-0.030328 0.176836 0.750000 N\n0.530328 0.676836 0.750000 N\n0.469672 0.323163 0.250000 N\n0.291001 0.414502 0.250000 N\n0.791001 0.085498 0.750000 N\n0.208998 0.914502 0.250000 N\n0.708998 0.585498 0.750000 N\n0.451746 0.209130 0.471796 O\n0.615437 0.413989 0.250000 O\n0.884562 0.913989 0.250000 O\n0.384562 0.586010 0.750000 O\n0.115437 0.086010 0.750000 O\n0.451746 0.209130 0.028204 O\n0.048253 0.709130 0.471796 O\n0.548253 0.790870 0.528204 O\n0.951746 0.290870 0.971796 O\n0.548253 0.790870 0.971796 O\n0.951746 0.290870 0.528204 O\n0.048253 0.709130 0.028204 O\n",
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{
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"created_at": "2022-09-04T14:38:42.044265Z",
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"structure_string": "B1 C1 F1\n1.0\n3.865860 0.000000 -0.000000\n-1.932930 3.347933 0.000000\n-0.000000 -0.000000 1.732339\nB C F\n1 1 1\ndirect\n0.000000 0.000000 0.000000 B\n0.333334 0.666667 0.000000 C\n0.666668 0.333333 0.000000 F\n",
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{
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"updated_at": "2022-09-04T14:37:52.663587Z",
"structure_string": "Mo3 Se2 S4\n1.0\n3.233971 0.000000 0.000000\n-1.616986 2.800692 0.000000\n0.000000 0.000000 27.810045\nMo Se S\n3 2 4\ndirect\n0.333324 0.666652 0.115606 Mo\n0.333324 0.666652 0.578359 Mo\n0.666660 0.333323 0.346982 Mo\n0.333328 0.666661 0.408356 Se\n0.333328 0.666661 0.285609 Se\n0.666665 0.333329 0.059806 S\n0.666648 0.333296 0.522485 S\n0.666648 0.333296 0.171480 S\n0.666665 0.333329 0.634157 S\n",
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{
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"structure_string": "Be2 Cr1 Mo1\n1.0\n-1.719151 1.719151 3.786256\n1.719151 -1.719151 3.786256\n1.719151 1.719151 -3.786256\nBe Cr Mo\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.500001 0.500001 0.000000 Cr\n0.750000 0.250000 0.500000 Mo\n",
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}