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{
"id": "jvasp-34408",
"created_at": "2022-09-04T14:38:06.040376Z",
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{
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{
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"updated_at": "2022-09-04T14:36:53.158075Z",
"structure_string": "Ba1 Ni1 I1 O6\n1.0\n5.164955 -0.000000 0.000000\n-2.582478 4.472983 0.000000\n-0.000000 -0.000000 5.804889\nBa Ni I O\n1 1 1 6\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666666 0.500000 Ni\n0.666667 0.333333 0.500000 I\n0.387694 0.006355 0.688772 O\n0.993646 0.381338 0.688772 O\n0.618661 0.612306 0.688772 O\n0.993646 0.612306 0.311228 O\n0.618662 0.006355 0.311228 O\n0.387694 0.381338 0.311228 O\n",
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{
"id": "jvasp-11769",
"created_at": "2022-09-04T14:37:14.032420Z",
"updated_at": "2022-09-04T14:37:14.032445Z",
"structure_string": "Mn2 Te2 Mo2 O12\n1.0\n5.117999 0.000000 0.000000\n0.000000 5.339076 0.000000\n0.000000 0.000000 8.954258\nMn Te Mo O\n2 2 2 12\ndirect\n0.000000 0.000000 0.473724 Mn\n0.500000 0.500000 0.526276 Mn\n0.000000 0.500000 0.246362 Te\n0.500000 0.000000 0.753638 Te\n0.500000 0.000000 0.186784 Mo\n0.000000 0.500000 0.813217 Mo\n0.843166 0.290603 0.929339 O\n0.343165 0.209398 0.070662 O\n0.656835 0.790603 0.070662 O\n0.156835 0.709398 0.929339 O\n0.256738 0.321614 0.708974 O\n0.781978 0.672852 0.388325 O\n0.281978 0.827150 0.611676 O\n0.243262 0.821615 0.291027 O\n0.218022 0.327149 0.388325 O\n0.718022 0.172851 0.611676 O\n0.756738 0.178386 0.291027 O\n0.743262 0.678387 0.708974 O\n",
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{
"id": "jvasp-108112",
"created_at": "2022-09-04T14:35:46.764925Z",
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"structure_string": "K1 Rb1 Mn1 F6\n1.0\n5.064518 -0.000000 2.924001\n1.688173 4.774874 2.924001\n-0.000000 -0.000000 5.848002\nK Rb Mn F\n1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.749999 0.750000 Rb\n0.000000 0.000000 0.000000 Mn\n0.778558 0.778558 0.221442 F\n0.221442 0.778558 0.221442 F\n0.778558 0.221442 0.221442 F\n0.221442 0.221442 0.778558 F\n0.778558 0.221442 0.778558 F\n0.221442 0.778558 0.778558 F\n",
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{
"id": "jvasp-34490",
"created_at": "2022-09-04T14:37:19.866707Z",
"updated_at": "2022-09-04T14:37:19.866733Z",
"structure_string": "Li2 Ca2 Co2 F12\n1.0\n2.518320 -4.361858 -0.000000\n2.518320 4.361858 -0.000000\n0.000000 -0.000000 9.754874\nLi Ca Co F\n2 2 2 12\ndirect\n0.333333 0.666667 0.750000 Li\n0.666667 0.333333 0.250000 Li\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.666667 0.333333 0.750000 Co\n0.333333 0.666667 0.250000 Co\n0.371084 0.021583 0.641292 F\n0.978417 0.349501 0.641292 F\n0.371084 0.349501 0.858707 F\n0.628916 0.978417 0.358707 F\n0.978417 0.628916 0.858707 F\n0.628916 0.650499 0.141292 F\n0.021583 0.371084 0.141292 F\n0.349501 0.371084 0.358707 F\n0.021583 0.650499 0.358707 F\n0.650499 0.628916 0.641292 F\n0.349501 0.978417 0.141292 F\n0.650499 0.021583 0.858707 F\n",
"nsites": 18,
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{
"id": "jvasp-24364",
"created_at": "2022-09-04T14:37:06.693137Z",
"updated_at": "2022-09-04T14:37:06.693155Z",
"structure_string": "Sr2 Li2 Ni2 F12\n1.0\n2.567985 -4.447881 -0.000000\n2.567985 4.447881 -0.000000\n-0.000000 -0.000000 10.417110\nSr Li Ni F\n2 2 2 12\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.666666 0.333332 0.750000 Li\n0.333332 0.666666 0.250000 Li\n0.333332 0.666666 0.750000 Ni\n0.666666 0.333332 0.250000 Ni\n0.018001 0.638582 0.645890 F\n0.379419 0.361417 0.145890 F\n0.620579 0.981997 0.645890 F\n0.018001 0.379420 0.854110 F\n0.620579 0.638581 0.854110 F\n0.379420 0.018001 0.354110 F\n0.638581 0.620579 0.354110 F\n0.638582 0.018001 0.145890 F\n0.981997 0.361416 0.354110 F\n0.361416 0.981997 0.854110 F\n0.361417 0.379419 0.645890 F\n0.981997 0.620579 0.145890 F\n",
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{
"id": "jvasp-36870",
"created_at": "2022-09-04T14:38:16.311016Z",
"updated_at": "2022-09-04T14:38:16.311030Z",
"structure_string": "H12 C2 I2 N2\n1.0\n0.000000 5.013888 0.161707\n5.116281 0.000000 0.000000\n0.000000 -0.305702 -8.871762\nH C I N\n12 2 2 2\ndirect\n0.896097 0.250000 0.842252 H\n0.183761 0.925566 0.412581 H\n0.495216 0.750000 0.427007 H\n0.183761 0.574433 0.412581 H\n0.396745 0.585755 0.174706 H\n0.103904 0.750000 0.157747 H\n0.396745 0.914245 0.174706 H\n0.504785 0.250000 0.572992 H\n0.816240 0.425566 0.587418 H\n0.603256 0.085755 0.825294 H\n0.603256 0.414245 0.825294 H\n0.816240 0.074434 0.587418 H\n0.711095 0.250000 0.621982 C\n0.288906 0.750000 0.378017 C\n0.775794 0.250000 0.191061 I\n0.224207 0.750000 0.808939 I\n0.705947 0.250000 0.789291 N\n0.294054 0.750000 0.210708 N\n",
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{
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"created_at": "2022-09-04T14:35:52.785105Z",
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"structure_string": "Na1 Ca1 La1 F6\n1.0\n3.760563 -0.000000 0.000000\n0.000000 5.262989 -3.038588\n-0.000000 0.000000 6.077176\nNa Ca La F\n1 1 1 6\ndirect\n0.979805 0.000000 -0.000000 Na\n0.743462 0.333333 0.666667 Ca\n0.260130 0.666667 0.333333 La\n0.248700 0.086721 0.384054 F\n0.248700 0.615946 0.702667 F\n0.248700 0.297333 0.913280 F\n0.756834 0.919996 0.611997 F\n0.756834 0.388003 0.307999 F\n0.756834 0.692001 0.080004 F\n",
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{
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"created_at": "2022-09-04T14:36:12.934292Z",
"updated_at": "2022-09-04T14:36:12.934315Z",
"structure_string": "K4 U4 Cr4 O24\n1.0\n6.408733 0.000000 -1.611873\n0.000000 8.353596 0.000000\n0.007423 0.000000 10.428924\nK U Cr O\n4 4 4 24\ndirect\n0.960412 0.732256 0.150911 K\n0.039588 0.232256 0.349089 K\n0.039587 0.267744 0.849089 K\n0.960411 0.767745 0.650910 K\n0.483172 0.023462 0.177743 U\n0.516827 0.523462 0.322257 U\n0.516827 0.976539 0.822257 U\n0.483172 0.476539 0.677742 U\n0.377028 0.643021 0.946642 Cr\n0.622971 0.143021 0.553358 Cr\n0.622971 0.356980 0.053358 Cr\n0.377028 0.856980 0.446642 Cr\n0.533919 0.157570 0.991407 O\n0.134904 0.868177 0.444164 O\n0.865096 0.368177 0.055836 O\n0.201841 0.430210 0.625093 O\n0.798157 0.930211 0.874907 O\n0.798158 0.569790 0.374907 O\n0.201842 0.069790 0.125093 O\n0.533919 0.342430 0.491407 O\n0.466080 0.842431 0.008593 O\n0.466080 0.657570 0.508592 O\n0.764253 0.521486 0.736516 O\n0.408822 0.791557 0.284712 O\n0.235746 0.478515 0.263485 O\n0.764253 0.978515 0.236515 O\n0.591177 0.208443 0.715287 O\n0.408822 0.708444 0.784712 O\n0.134903 0.631823 0.944163 O\n0.591177 0.291557 0.215288 O\n0.450702 0.063656 0.396219 O\n0.549297 0.563656 0.103781 O\n0.549297 0.936345 0.603781 O\n0.450702 0.436345 0.896218 O\n0.235746 0.021486 0.763484 O\n0.865095 0.131823 0.555836 O\n",
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{
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"created_at": "2022-09-04T14:36:57.581379Z",
"updated_at": "2022-09-04T14:36:57.581402Z",
"structure_string": "La1 Ti1 Te1 O6\n1.0\n5.340124 0.000000 0.000000\n-2.670062 4.624683 0.000000\n-0.000000 0.000000 5.138745\nLa Ti Te O\n1 1 1 6\ndirect\n0.333333 0.666666 0.500000 La\n0.666666 0.333333 -0.000000 Ti\n0.000000 0.000000 0.000000 Te\n0.957746 0.299221 0.783739 O\n0.700778 0.658525 0.783739 O\n0.341475 0.042253 0.783739 O\n0.700778 0.042253 0.216262 O\n0.957746 0.658525 0.216262 O\n0.341475 0.299221 0.216262 O\n",
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{
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"created_at": "2022-09-04T14:36:07.889149Z",
"updated_at": "2022-09-04T14:36:07.889159Z",
"structure_string": "Sr4 Li4 Fe4 F24\n1.0\n5.227057 0.000000 -0.194495\n0.000000 8.676328 0.000000\n0.020553 0.000000 10.260154\nSr Li Fe F\n4 4 4 24\ndirect\n0.251928 0.285767 0.499857 Sr\n0.748073 0.785767 0.000143 Sr\n0.251927 0.214234 0.999856 Sr\n0.748072 0.714234 0.500143 Sr\n0.285684 0.919385 0.740075 Li\n0.714316 0.419385 0.759924 Li\n0.714316 0.080615 0.259924 Li\n0.285684 0.580615 0.240075 Li\n0.784466 0.417601 0.250304 Fe\n0.215534 0.917601 0.249695 Fe\n0.784466 0.082399 0.750304 Fe\n0.215534 0.582399 0.749695 Fe\n0.074485 0.092921 0.648381 F\n0.490023 0.547074 0.638313 F\n0.391997 0.773812 0.353078 F\n0.509977 0.452927 0.361686 F\n0.006426 0.457516 0.638880 F\n0.074486 0.407079 0.148382 F\n0.608003 0.226188 0.646922 F\n0.006426 0.042485 0.138880 F\n0.364382 0.420485 0.847813 F\n0.993574 0.542485 0.361119 F\n0.880103 0.247889 0.354216 F\n0.635617 0.579516 0.152186 F\n0.993574 0.957516 0.861119 F\n0.490023 0.952927 0.138313 F\n0.635617 0.920485 0.652186 F\n0.364383 0.079516 0.347813 F\n0.119897 0.752112 0.645784 F\n0.509976 0.047074 0.861686 F\n0.880103 0.252111 0.854215 F\n0.925515 0.907079 0.351618 F\n0.119897 0.747889 0.145784 F\n0.391996 0.726188 0.853077 F\n0.925514 0.592921 0.851618 F\n0.608004 0.273812 0.146922 F\n",
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}