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{
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{
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{
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"structure_string": "Ba1 Hg1 Sb1\n1.0\n-0.000000 3.957095 3.957095\n3.957095 0.000000 3.957095\n3.957095 3.957095 -0.000000\nBa Hg Sb\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 Hg\n0.499999 0.499999 0.499999 Sb\n",
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{
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"updated_at": "2022-09-04T14:35:58.216841Z",
"structure_string": "Ba1 Hg1 Se2\n1.0\n4.426130 -0.000000 0.000000\n0.000000 4.426130 0.000000\n0.000000 -0.000000 7.070054\nBa Hg Se\n1 1 2\ndirect\n0.500000 0.500000 -0.000000 Ba\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.826617 Se\n0.000000 0.000000 0.173383 Se\n",
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{
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"created_at": "2022-09-04T14:35:41.146675Z",
"updated_at": "2022-09-04T14:35:41.146696Z",
"structure_string": "Ba1 Hg1 Se4\n1.0\n-0.000000 4.280252 4.280252\n4.280252 0.000000 4.280252\n4.280252 4.280252 0.000000\nBa Hg Se\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Hg\n0.122856 0.625714 0.625714 Se\n0.625714 0.625714 0.625714 Se\n0.625714 0.122856 0.625714 Se\n0.625714 0.625714 0.122856 Se\n",
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"formula_full": "Ba1 Hg1 Se4",
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{
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"created_at": "2022-09-04T14:35:46.503300Z",
"updated_at": "2022-09-04T14:35:46.503331Z",
"structure_string": "Ba1 Hg1 W2\n1.0\n4.220661 0.000000 -0.000000\n-0.000000 4.220661 0.000000\n-0.000000 -0.000000 5.236815\nBa Hg W\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.500000 Hg\n0.500000 0.000000 0.000000 W\n0.000000 0.500000 0.000000 W\n",
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{
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"created_at": "2022-09-04T14:36:01.448044Z",
"updated_at": "2022-09-04T14:36:01.448062Z",
"structure_string": "Ba1 Hg1 W2\n1.0\n-2.113514 2.113514 5.267549\n2.113514 -2.113514 5.267549\n2.113514 2.113514 -5.267549\nBa Hg W\n1 1 2\ndirect\n0.250000 0.749999 0.499999 Ba\n0.749999 0.250000 0.499999 Hg\n0.000000 0.000000 0.000000 W\n0.500000 0.500000 0.000000 W\n",
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{
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"created_at": "2022-09-04T14:35:54.544128Z",
"updated_at": "2022-09-04T14:35:54.544151Z",
"structure_string": "Ba2 H2 I2\n1.0\n4.726482 0.000000 0.000000\n0.000000 4.726482 0.000000\n0.000000 0.000000 7.779853\nBa H I\n2 2 2\ndirect\n0.500000 0.000000 0.825172 Ba\n0.000000 0.500000 0.174828 Ba\n0.500000 0.500000 0.000000 H\n0.000000 0.000000 0.000000 H\n0.000000 0.500000 0.656721 I\n0.500000 0.000000 0.343279 I\n",
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{
"id": "jvasp-85667",
"created_at": "2022-09-04T14:38:07.815167Z",
"updated_at": "2022-09-04T14:38:07.815193Z",
"structure_string": "Ba4 H4 I4 O4\n1.0\n8.009580 0.000000 0.000000\n0.000000 4.508944 0.000000\n0.000000 0.000000 11.115846\nBa H I O\n4 4 4 4\ndirect\n0.688894 0.250000 0.417053 Ba\n0.188894 0.250000 0.082947 Ba\n0.311106 0.749999 0.582947 Ba\n0.811106 0.749999 0.917053 Ba\n0.780477 0.250000 0.100056 H\n0.280477 0.250000 0.399944 H\n0.219523 0.749999 0.899944 H\n0.719523 0.749999 0.600057 H\n0.531783 0.749999 0.179810 I\n0.031783 0.749999 0.320190 I\n0.468217 0.250000 0.820190 I\n0.968217 0.250000 0.679810 I\n0.865274 0.250000 0.036757 O\n0.365274 0.250000 0.463243 O\n0.134726 0.749999 0.963243 O\n0.634726 0.749999 0.536757 O\n",
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{
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{
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"structure_string": "Ba8 H16 O16\n1.0\n9.361801 0.000000 -0.892206\n0.000000 7.898165 0.000000\n0.043184 0.000000 6.792202\nBa H O\n8 16 16\ndirect\n0.895134 0.144799 0.251644 Ba\n0.395134 0.355201 0.751645 Ba\n0.104865 0.855200 0.748355 Ba\n0.604865 0.644799 0.248355 Ba\n0.317925 0.050262 0.281608 Ba\n0.817925 0.449738 0.781608 Ba\n0.682074 0.949737 0.718391 Ba\n0.182074 0.550262 0.218391 Ba\n0.092656 0.238532 0.555485 H\n0.592656 0.261468 0.055485 H\n0.907343 0.761467 0.444514 H\n0.407343 0.738532 0.944514 H\n0.120476 0.274128 0.936538 H\n0.379523 0.774127 0.563461 H\n0.879523 0.725872 0.063461 H\n0.620476 0.225872 0.436538 H\n0.977026 0.148812 0.780831 H\n0.522973 0.648811 0.719168 H\n0.022974 0.851188 0.219168 H\n0.882459 0.539986 0.313275 H\n0.382459 0.960014 0.813275 H\n0.117540 0.460014 0.686724 H\n0.617540 0.039986 0.186724 H\n0.477026 0.351188 0.280831 H\n0.841096 0.702166 0.525720 O\n0.341097 0.797833 0.025721 O\n0.605576 0.339923 0.490605 O\n0.105576 0.160077 -0.009395 O\n0.394424 0.660076 0.509395 O\n0.894424 0.839923 0.009394 O\n0.417276 0.361556 0.152360 O\n0.880615 0.494090 0.177807 O\n0.582723 0.638444 0.847639 O\n0.082724 0.861555 0.347640 O\n0.380615 0.005910 0.677808 O\n0.119384 0.505909 0.822192 O\n0.619384 0.994090 0.322192 O\n0.658903 0.202167 0.974279 O\n0.917276 0.138444 0.652359 O\n0.158903 0.297833 0.474279 O\n",
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{
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"structure_string": "Ba8 H16 O16\n1.0\n9.009845 0.000000 -0.961050\n0.000000 8.102666 0.000000\n-0.034668 0.000000 6.944317\nBa H O\n8 16 16\ndirect\n0.899086 0.125246 0.256650 Ba\n0.399085 0.374755 0.756650 Ba\n0.100915 0.874755 0.743350 Ba\n0.600915 0.625246 0.243350 Ba\n0.334116 0.031074 0.247074 Ba\n0.834116 0.468926 0.747074 Ba\n0.665884 0.968927 0.752926 Ba\n0.165884 0.531074 0.252926 Ba\n0.096608 0.241618 0.559085 H\n0.596609 0.258382 0.059085 H\n0.903392 0.758383 0.440915 H\n0.403392 0.741618 0.940916 H\n0.129247 0.268891 0.948843 H\n0.370753 0.768891 0.551158 H\n0.870753 0.731110 0.051158 H\n0.629247 0.231109 0.448842 H\n0.969091 0.159328 0.779630 H\n0.530909 0.659329 0.720371 H\n0.030909 0.840672 0.220371 H\n0.792841 0.402494 0.105868 H\n0.292840 0.097507 0.605868 H\n0.207160 0.597507 0.894133 H\n0.707160 0.902494 0.394133 H\n0.469091 0.340672 0.279629 H\n0.824166 0.748559 0.527020 O\n0.324166 0.751442 0.027019 O\n0.601877 0.342632 0.487600 O\n0.101876 0.157368 0.987601 O\n0.398124 0.657368 0.512400 O\n0.898124 0.842632 0.012400 O\n0.409191 0.350158 0.150348 O\n0.870397 0.478165 0.167436 O\n0.590809 0.649843 0.849652 O\n0.090809 0.850158 0.349652 O\n0.370397 0.021836 0.667436 O\n0.129603 0.521836 0.832565 O\n0.629603 0.978165 0.332564 O\n0.675834 0.248559 0.972981 O\n0.909191 0.149843 0.650349 O\n0.175834 0.251442 0.472981 O\n",
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]
}