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{
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{
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"structure_string": "Be2 Cr1 Cu1\n1.0\n2.497996 0.000000 -0.000000\n0.000000 2.497996 0.000000\n0.000000 0.000000 6.250915\nBe Cr Cu\n2 1 1\ndirect\n0.000000 0.000000 0.019954 Be\n0.500001 0.500001 0.219460 Be\n0.000000 0.000000 0.475146 Cr\n0.500001 0.500001 0.785439 Cu\n",
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{
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"structure_string": "Li2 Ni1 Sn1 O4\n1.0\n5.301577 -0.200329 -0.000000\n2.140106 4.854564 0.000000\n-3.720841 -2.327118 2.981059\nLi Ni Sn O\n2 1 1 4\ndirect\n0.250001 0.749999 0.500000 Li\n0.500001 0.500000 -0.000000 Li\n0.000000 0.000000 0.000000 Ni\n0.750001 0.250000 0.500000 Sn\n0.517187 0.017187 0.500000 O\n0.240474 0.240474 -0.000000 O\n0.982815 0.482813 0.500000 O\n0.759528 0.759526 -0.000000 O\n",
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{
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"structure_string": "Sn4 H32 C16 O16\n1.0\n5.771032 0.000000 0.000000\n0.000000 9.509983 0.000000\n0.000000 0.000000 12.079946\nSn H C O\n4 32 16 16\ndirect\n0.068476 0.250000 0.696864 Sn\n0.568476 0.750000 0.803137 Sn\n0.931524 0.750000 0.303137 Sn\n0.431524 0.250000 0.196863 Sn\n0.657332 0.250000 0.591427 H\n0.772155 0.750000 0.089396 H\n0.370554 0.655478 0.988296 H\n0.342668 0.750000 0.408573 H\n0.870554 0.344522 0.511705 H\n0.272156 0.250000 0.410604 H\n0.227844 0.250000 0.910604 H\n0.034771 0.440379 0.914262 H\n0.870554 0.155478 0.511705 H\n0.370554 0.844522 0.988296 H\n0.034771 0.059620 0.914262 H\n0.921212 0.655607 0.678481 H\n0.629446 0.155478 0.011705 H\n0.157332 0.750000 0.908573 H\n0.965229 0.559620 0.085738 H\n0.727844 0.750000 0.589396 H\n0.465229 0.440379 0.414262 H\n0.578787 0.655607 0.178481 H\n0.534770 0.559620 0.585738 H\n0.129446 0.844522 0.488296 H\n0.078787 0.155607 0.321519 H\n0.965229 0.940379 0.085738 H\n0.465229 0.059620 0.414262 H\n0.129446 0.655478 0.488296 H\n0.421213 0.344393 0.821520 H\n0.842667 0.250000 0.091427 H\n0.629446 0.344522 0.011705 H\n0.578787 0.844392 0.178481 H\n0.921212 0.844392 0.678481 H\n0.421213 0.155607 0.821520 H\n0.534770 0.940379 0.585738 H\n0.078787 0.344393 0.321519 H\n0.105354 0.516099 0.137602 C\n0.685366 0.750000 0.169884 C\n0.185366 0.250000 0.330117 C\n0.814633 0.750000 0.669884 C\n0.394646 0.983901 0.637603 C\n0.164833 0.750000 0.439533 C\n0.394646 0.516099 0.637603 C\n0.664833 0.250000 0.060467 C\n0.894646 0.016099 0.862398 C\n0.605353 0.016099 0.362398 C\n0.105354 0.983901 0.137602 C\n0.335166 0.750000 0.939534 C\n0.605353 0.483901 0.362398 C\n0.314634 0.250000 0.830117 C\n0.835166 0.250000 0.560467 C\n0.894646 0.483901 0.862398 C\n0.844312 0.423098 0.771591 O\n0.292941 0.092336 0.600285 O\n0.655688 0.076902 0.271591 O\n0.292941 0.407664 0.600285 O\n0.707059 0.592335 0.399715 O\n0.792940 0.907664 0.899715 O\n0.792940 0.592335 0.899715 O\n0.344312 0.576902 0.728409 O\n0.844312 0.076902 0.771591 O\n0.207059 0.092336 0.100285 O\n0.155688 0.923098 0.228409 O\n0.207059 0.407664 0.100285 O\n0.344312 0.923098 0.728409 O\n0.655688 0.423098 0.271591 O\n0.707059 0.907664 0.399715 O\n0.155688 0.576902 0.228409 O\n",
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{
"id": "jvasp-116787",
"created_at": "2022-09-04T14:38:41.789604Z",
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"structure_string": "Mo2 H16 N4 O8\n1.0\n6.448911 0.094821 2.650853\n2.585621 5.908638 2.650853\n0.037619 0.024998 7.747169\nMo H N O\n2 16 4 8\ndirect\n0.208224 0.208225 0.245911 Mo\n0.791775 0.791776 0.754089 Mo\n0.058791 0.058792 0.761880 H\n0.941209 0.941209 0.238120 H\n0.683553 0.922311 0.306380 H\n0.316447 0.077690 0.693620 H\n0.922310 0.683554 0.306380 H\n0.870277 0.870277 0.092468 H\n0.129723 0.129723 0.907532 H\n0.077690 0.316447 0.693620 H\n0.272417 0.505370 0.382191 H\n0.505369 0.272417 0.382192 H\n0.727583 0.494631 0.617808 H\n0.333644 0.333644 0.881492 H\n0.666356 0.666356 0.118507 H\n0.530138 0.530139 0.823216 H\n0.469862 0.469862 0.176783 H\n0.494630 0.727583 0.617808 H\n0.854998 0.854998 0.237397 N\n0.145002 0.145002 0.762602 N\n0.611868 0.611868 0.698743 N\n0.388132 0.388132 0.301256 N\n0.353100 0.353100 -0.008894 O\n0.104859 0.104859 0.139887 O\n0.895141 0.895141 0.860112 O\n0.036479 0.621346 0.611767 O\n0.378654 0.963521 0.388233 O\n0.963520 0.378654 0.388233 O\n0.621346 0.036480 0.611767 O\n0.646900 0.646900 0.008893 O\n",
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{
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"structure_string": "Be2 Cr1 Fe1\n1.0\n2.370850 -0.000000 -0.000000\n-0.000000 2.370850 -0.000000\n0.000000 0.000000 6.937058\nBe Cr Fe\n2 1 1\ndirect\n0.000000 0.000000 0.741417 Be\n0.000000 0.000000 0.258584 Be\n0.500000 0.500000 0.000000 Cr\n0.500000 0.500000 0.500000 Fe\n",
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{
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"structure_string": "Tc2 N2\n1.0\n1.408528 -2.439642 0.000000\n1.408528 2.439642 -0.000000\n0.000000 -0.000000 5.673620\nTc N\n2 2\ndirect\n0.000000 0.000000 0.500000 Tc\n0.000000 0.000000 0.000000 Tc\n0.333334 0.666668 0.250000 N\n0.666668 0.333334 0.750000 N\n",
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"structure_string": "K4 B4 H16\n1.0\n3.391566 0.000000 0.000000\n0.000000 7.971067 0.000000\n0.000000 0.000000 8.653797\nK B H\n4 4 16\ndirect\n0.750001 0.213381 0.288052 K\n0.250000 0.786620 0.711948 K\n0.250000 0.286619 0.788053 K\n0.750001 0.713381 0.211948 K\n0.750001 0.974979 0.956980 B\n0.250000 0.025021 0.043020 B\n0.250000 0.525021 0.456980 B\n0.750001 0.474979 0.543020 B\n0.250000 0.183123 0.069691 H\n0.750001 0.816877 0.930309 H\n0.750001 0.028463 0.815215 H\n0.250000 0.971537 0.184785 H\n0.250000 0.471537 0.315215 H\n0.750001 0.528464 0.684786 H\n0.861262 0.898212 0.453324 H\n0.138739 0.101788 0.546677 H\n0.138739 0.601789 -0.046676 H\n0.638739 0.398212 0.046676 H\n0.250000 0.683123 0.430309 H\n0.638739 0.898212 0.453324 H\n0.861262 0.398212 0.046676 H\n0.361262 0.601789 -0.046676 H\n0.361262 0.101788 0.546677 H\n0.750001 0.316877 0.569691 H\n",
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{
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}