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"structure_string": "Ca1 Sn1 S3\n1.0\n5.176529 0.000000 0.000000\n0.000000 5.176529 0.000000\n-0.000000 -0.000000 5.176529\nCa Sn S\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.000000 S\n0.000000 0.500000 0.500000 S\n0.500000 0.000000 0.500000 S\n",
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{
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"structure_string": "Ni1 H2 O2\n1.0\n1.561230 0.901376 5.973387\n-1.561230 0.901376 5.973387\n-0.000000 -1.802752 5.973387\nNi H O\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ni\n0.556088 0.556088 0.556084 H\n0.443915 0.443915 0.443912 H\n0.610484 0.610484 0.610480 O\n0.389519 0.389519 0.389516 O\n",
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{
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"created_at": "2022-09-04T14:35:50.861784Z",
"updated_at": "2022-09-04T14:35:50.861810Z",
"structure_string": "Ba1 Na1 Y1\n1.0\n-0.000000 4.077554 4.077554\n4.077554 -0.000000 4.077554\n4.077554 4.077554 0.000000\nBa Na Y\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Y\n",
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{
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"created_at": "2022-09-04T14:36:18.220278Z",
"updated_at": "2022-09-04T14:36:18.220309Z",
"structure_string": "Mg6 Cr1 Cd1\n1.0\n6.247012 0.004358 0.000000\n-3.119733 5.412250 0.000000\n0.000000 0.000000 4.990264\nMg Cr Cd\n6 1 1\ndirect\n0.167560 0.836255 0.250000 Mg\n0.663745 0.332440 0.250000 Mg\n0.665510 0.834490 0.250000 Mg\n0.331012 0.655698 0.749999 Mg\n0.844302 0.168989 0.749999 Mg\n0.832913 0.667088 0.749999 Mg\n0.164186 0.335814 0.250000 Cr\n0.330773 0.169227 0.749999 Cd\n",
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{
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"updated_at": "2022-09-04T14:38:26.247885Z",
"structure_string": "Li12 Fe4 O12\n1.0\n8.591851 -0.001046 -0.000013\n0.001080 8.591828 -0.000006\n0.000005 0.000003 3.675529\nLi Fe O\n12 4 12\ndirect\n0.105940 0.362888 0.500000 Li\n0.137118 0.605940 -0.000000 Li\n0.161506 0.161503 0.000000 Li\n0.338495 0.661510 0.500000 Li\n0.362894 0.105939 0.500000 Li\n0.394062 0.862904 -0.000001 Li\n0.605940 0.137116 0.000000 Li\n0.637111 0.894061 0.499999 Li\n0.661509 0.338496 0.500000 Li\n0.838493 0.838491 -0.000000 Li\n0.862900 0.394061 0.000000 Li\n0.894062 0.637102 0.500000 Li\n0.882161 0.117838 0.500001 Fe\n0.617834 0.617835 -0.000001 Fe\n0.382161 0.382160 -0.000000 Fe\n0.117837 0.882162 0.499999 Fe\n0.103417 0.103418 0.500000 O\n0.112503 0.672762 0.499999 O\n0.172761 0.387495 -0.000000 O\n0.327235 0.887499 0.499999 O\n0.387497 0.172760 0.000000 O\n0.396578 0.603416 -0.000000 O\n0.603416 0.396579 0.000000 O\n0.612500 0.827235 -0.000001 O\n0.672762 0.112504 0.500001 O\n0.827233 0.612500 -0.000000 O\n0.887499 0.327238 0.500001 O\n0.896581 0.896581 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:38:04.996813Z",
"updated_at": "2022-09-04T14:38:04.996829Z",
"structure_string": "Sc5 N1 Cl8\n1.0\n3.434631 -0.000000 0.654715\n1.510596 8.776044 1.411806\n-0.018069 0.024633 9.431189\nSc N Cl\n5 1 8\ndirect\n0.840491 0.645751 0.673267 Sc\n0.159510 0.354248 0.326733 Sc\n0.486751 0.636454 0.390046 Sc\n0.513250 0.363545 0.609954 Sc\n0.000000 0.000000 0.000000 Sc\n0.000001 0.500000 0.500000 N\n0.033006 0.175331 0.758657 Cl\n0.966995 0.824668 0.241343 Cl\n0.330981 0.501612 0.836426 Cl\n0.669020 0.498387 0.163574 Cl\n0.701948 0.163250 0.432856 Cl\n0.298053 0.836749 0.567144 Cl\n0.366563 0.165510 0.101366 Cl\n0.633439 0.834489 0.898634 Cl\n",
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{
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"created_at": "2022-09-04T14:36:59.793448Z",
"updated_at": "2022-09-04T14:36:59.793475Z",
"structure_string": "Ca6 Si2 O10\n1.0\n3.615073 -6.261491 -0.000000\n3.615073 6.261491 0.000000\n-0.000000 -0.000000 5.489152\nCa Si O\n6 2 10\ndirect\n0.151207 0.848792 0.231556 Ca\n0.697586 0.848792 0.231556 Ca\n0.848792 0.697586 0.731556 Ca\n0.151207 0.302413 0.231556 Ca\n0.302413 0.151207 0.731556 Ca\n0.848792 0.151207 0.731556 Ca\n0.333333 0.666667 0.765643 Si\n0.666667 0.333333 0.265644 Si\n0.666667 0.333333 0.570471 O\n0.791040 0.582080 0.165681 O\n0.208959 0.417919 0.665680 O\n0.333333 0.666667 0.070471 O\n0.208959 0.791040 0.665680 O\n0.000000 0.000000 0.973516 O\n0.000000 0.000000 0.473516 O\n0.417919 0.208959 0.165681 O\n0.582080 0.791040 0.665680 O\n0.791040 0.208959 0.165681 O\n",
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{
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"created_at": "2022-09-04T14:36:54.854012Z",
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"structure_string": "Rb2 Li1 Pr1 Cl6\n1.0\n6.428870 -0.000000 3.711710\n2.142957 6.061197 3.711710\n0.000000 -0.000000 7.423420\nRb Li Pr Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Pr\n0.739911 0.260089 0.260089 Cl\n0.260089 0.260089 0.739911 Cl\n0.260089 0.739912 0.739911 Cl\n0.260089 0.739912 0.260088 Cl\n0.739911 0.260089 0.739911 Cl\n0.739911 0.739912 0.260089 Cl\n",
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{
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"structure_string": "Li4 Ti2 Si2 O10\n1.0\n6.481671 0.000000 0.000000\n0.000000 6.481671 -0.000000\n0.000000 -0.000000 4.400459\nLi Ti Si O\n4 2 2 10\ndirect\n0.250000 0.750000 0.500000 Li\n0.750000 0.250000 0.500000 Li\n0.750000 0.750000 0.500000 Li\n0.250000 0.250000 0.500000 Li\n0.000000 0.500000 0.900099 Ti\n0.500000 0.000000 0.099901 Ti\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.000000 Si\n0.794730 0.000000 0.219944 O\n0.500000 0.705270 0.219944 O\n0.500000 0.294730 0.219944 O\n0.205270 0.000000 0.219944 O\n0.000000 0.500000 0.292576 O\n0.000000 0.794730 0.780056 O\n0.500000 0.000000 0.707424 O\n0.294730 0.500000 0.780056 O\n0.000000 0.205270 0.780056 O\n0.705270 0.500000 0.780056 O\n",
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"structure_string": "Ca3 Si1 Br2\n1.0\n4.126462 0.000000 -0.937391\n-0.212943 4.120963 -0.937391\n0.063891 0.067278 9.832439\nCa Si Br\n3 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.648079 0.648078 0.296157 Ca\n0.351921 0.351922 0.703843 Ca\n0.500000 0.500000 0.000000 Si\n0.815701 0.815701 0.631402 Br\n0.184299 0.184299 0.368598 Br\n",
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]
}