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"id": "jvasp-26399",
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"structure_string": "Nd2 Ti2 S2 O5\n1.0\n3.812820 0.000000 -0.627617\n-0.103311 3.811434 -0.627619\n0.015532 0.015952 11.989751\nNd Ti S O\n2 2 2 5\ndirect\n0.334044 0.334043 0.668089 Nd\n0.665956 0.665955 0.331911 Nd\n0.077537 0.077537 0.155075 Ti\n0.922462 0.922461 0.844925 Ti\n0.203949 0.203949 0.407897 S\n0.796051 0.796050 0.592102 S\n0.903267 0.403267 0.806535 O\n0.096732 0.596731 0.193465 O\n0.403268 0.903267 0.806535 O\n0.596732 0.096732 0.193465 O\n0.000000 0.000000 0.000000 O\n",
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{
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"structure_string": "Te2 Mo2 W2 Se6\n1.0\n3.386680 -0.000020 -0.000054\n-1.693358 2.932761 -0.000002\n-0.000564 -0.000369 34.752675\nTe Mo W Se\n2 2 2 6\ndirect\n0.333511 0.666874 0.721316 Te\n0.333440 0.666803 0.612467 Te\n0.333026 0.666306 0.090575 Mo\n0.666788 0.333558 0.278691 Mo\n0.333398 0.666670 0.466716 W\n0.666754 0.333402 0.666939 W\n0.333528 0.666989 0.326252 Se\n0.666187 0.332670 0.043065 Se\n0.666889 0.333691 0.418922 Se\n0.666417 0.333066 0.138159 Se\n0.666657 0.333163 0.514527 Se\n0.333404 0.666805 0.231120 Se\n",
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{
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"created_at": "2022-09-04T14:37:49.186750Z",
"updated_at": "2022-09-04T14:37:49.186778Z",
"structure_string": "K2 Na1 Pr1 Cl6\n1.0\n6.593900 -0.000000 3.806990\n2.197967 6.216788 3.806990\n-0.000000 -0.000000 7.613980\nK Na Pr Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Pr\n0.747041 0.252959 0.252959 Cl\n0.252959 0.252959 0.747041 Cl\n0.252959 0.747041 0.747041 Cl\n0.252959 0.747041 0.252959 Cl\n0.747041 0.252959 0.747041 Cl\n0.747041 0.747041 0.252959 Cl\n",
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{
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"created_at": "2022-09-04T14:37:59.596479Z",
"updated_at": "2022-09-04T14:37:59.596505Z",
"structure_string": "Li3 Al2 Cr1 O6\n1.0\n2.475080 4.287669 0.014525\n-2.475080 4.287669 -0.014525\n-1.680056 0.000000 4.742360\nLi Al Cr O\n3 2 1 6\ndirect\n0.165795 0.165795 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.834205 0.834206 0.500000 Li\n0.333225 0.333225 -0.000000 Al\n0.666776 0.666776 -0.000000 Al\n0.000000 0.000000 0.000000 Cr\n0.270926 0.729075 0.779847 O\n0.417453 0.926717 0.219022 O\n0.073283 0.582548 0.219022 O\n0.926716 0.417453 0.780978 O\n0.582547 0.073284 0.780978 O\n0.729074 0.270926 0.220153 O\n",
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{
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"created_at": "2022-09-04T14:37:42.276127Z",
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"structure_string": "Pr2 Ti2 S2 O5\n1.0\n3.829217 0.000000 -0.634570\n-0.105159 3.827738 -0.634564\n0.027592 0.028379 12.037211\nPr Ti S O\n2 2 2 5\ndirect\n0.665715 0.665716 0.331431 Pr\n0.334285 0.334285 0.668570 Pr\n0.077188 0.077188 0.154377 Ti\n0.922812 0.922813 0.845624 Ti\n0.796362 0.796363 0.592725 S\n0.203638 0.203638 0.407275 S\n0.595982 0.095982 0.191963 O\n0.404018 0.904019 0.808038 O\n-0.000000 -0.000000 0.000000 O\n0.904018 0.404019 0.808037 O\n0.095981 0.595982 0.191963 O\n",
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"structure_string": "Si2 Ge2 N4 O2\n1.0\n0.000000 5.398395 -0.002625\n5.022557 0.000000 0.000000\n0.000000 -2.443965 -4.827215\nSi Ge N O\n2 2 4 2\ndirect\n0.165866 0.314915 0.519812 Si\n0.834136 0.814916 0.480188 Si\n0.522047 0.316445 0.176114 Ge\n0.477955 0.816445 0.823886 Ge\n0.589736 0.674667 0.172460 N\n0.151212 0.653861 0.576277 N\n0.848790 0.153861 0.423723 N\n0.410266 0.174667 0.827540 N\n0.255340 0.244111 0.274354 O\n0.744662 0.744111 0.725646 O\n",
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{
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"created_at": "2022-09-04T14:37:41.749651Z",
"updated_at": "2022-09-04T14:37:41.749677Z",
"structure_string": "Y2 C1 N2 O2\n1.0\n1.856934 -3.216306 -0.000000\n1.856934 3.216306 0.000000\n-0.000000 -0.000000 8.224487\nY C N O\n2 1 2 2\ndirect\n0.666666 0.333332 0.677693 Y\n0.333332 0.666666 0.322308 Y\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.149992 N\n0.000000 0.000000 0.850009 N\n0.666666 0.333332 0.396797 O\n0.333332 0.666666 0.603204 O\n",
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{
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"created_at": "2022-09-04T14:37:48.991336Z",
"updated_at": "2022-09-04T14:37:48.991361Z",
"structure_string": "Y1 Bi2 Br1 O4\n1.0\n3.909345 -0.000000 -0.000000\n0.000000 3.909345 -0.000000\n-0.000000 0.000000 9.233143\nY Bi Br O\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Y\n0.500001 0.500001 0.271297 Bi\n0.500001 0.500001 0.728702 Bi\n0.000000 0.000000 0.500000 Br\n0.000000 0.500001 0.149051 O\n0.500001 0.000000 0.850949 O\n0.000000 0.500001 0.850949 O\n0.500001 0.000000 0.149051 O\n",
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"structure_string": "Li4 Mn4 Ni2 O12\n1.0\n4.983752 0.000000 0.000000\n-2.491877 4.322427 -0.000000\n-0.000000 -0.000000 10.015123\nLi Mn Ni O\n4 4 2 12\ndirect\n0.168251 0.500000 0.250000 Li\n0.831748 0.500000 0.750000 Li\n0.331748 0.500000 0.750000 Li\n0.668251 0.500000 0.250000 Li\n0.162474 0.324949 0.500000 Mn\n0.837525 0.675052 0.500000 Mn\n0.662474 0.324949 0.000000 Mn\n0.337525 0.675052 0.000000 Mn\n0.500000 -0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.995799 0.642056 0.105662 O\n0.004200 0.357944 0.894337 O\n0.345839 -0.000000 0.900141 O\n0.845839 -0.000000 0.599859 O\n0.353744 0.357944 0.105662 O\n0.154161 -0.000000 0.400141 O\n0.853743 0.357944 0.394337 O\n0.504200 0.357944 0.605662 O\n0.654160 -0.000000 0.099859 O\n0.495799 0.642056 0.394337 O\n0.646256 0.642056 0.894337 O\n0.146256 0.642056 0.605662 O\n",
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"structure_string": "K2 Ge2 Pb2 O7\n1.0\n2.909113 -5.038731 -0.000000\n2.909112 5.038731 -0.000000\n-0.000000 0.000000 7.970772\nK Ge Pb O\n2 2 2 7\ndirect\n0.666667 0.333333 0.928880 K\n0.333333 0.666667 0.071120 K\n0.000000 0.000000 0.272741 Ge\n0.000000 0.000000 0.727259 Ge\n0.333333 0.666667 0.616892 Pb\n0.666667 0.333333 0.383108 Pb\n0.771578 0.099374 0.207614 O\n0.228421 0.900625 0.792386 O\n0.327797 0.228421 0.207614 O\n0.000000 0.000000 0.500000 O\n0.099374 0.327797 0.792386 O\n0.900625 0.672202 0.207614 O\n0.672203 0.771578 0.792386 O\n",
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