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{
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{
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{
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{
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"structure_string": "Tb1 Cd1 Ni4\n1.0\n0.000000 3.516912 3.516912\n3.516912 0.000000 3.516912\n3.516912 3.516912 0.000000\nTb Cd Ni\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Tb\n0.000000 0.000000 0.000000 Cd\n0.625978 0.625978 0.122065 Ni\n0.625978 0.122065 0.625978 Ni\n0.122065 0.625978 0.625978 Ni\n0.625978 0.625978 0.625978 Ni\n",
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{
"id": "mp-1193553",
"created_at": "2022-09-04T14:39:05.136120Z",
"structure_string": "Bi4 B4 Pb4 O16\n1.0\n5.318251 -5.586696 0.000000\n5.318251 5.586696 0.000000\n0.000000 0.000000 7.577663\nBi B Pb O\n4 4 4 16\ndirect\n0.658312 0.341688 0.500000 Bi\n0.158312 0.841688 0.000000 Bi\n0.341688 0.658312 0.500000 Bi\n0.841688 0.158312 0.000000 Bi\n0.512010 0.012010 0.250000 B\n0.987990 0.487990 0.750000 B\n0.487990 0.987990 0.750000 B\n0.012010 0.512010 0.250000 B\n0.183215 0.183215 0.391197 Pb\n0.816785 0.816785 0.608803 Pb\n0.316785 0.316785 0.891197 Pb\n0.683215 0.683215 0.108803 Pb\n0.474585 0.182373 0.294384 O\n0.817627 0.525415 0.705616 O\n0.317627 0.025415 0.794384 O\n0.974585 0.682373 0.205616 O\n0.525415 0.817627 0.705616 O\n0.182373 0.474585 0.294384 O\n0.682373 0.974585 0.205616 O\n0.025415 0.317627 0.794384 O\n0.398533 0.398533 0.605678 O\n0.601467 0.601467 0.394322 O\n0.101467 0.101467 0.105678 O\n0.898533 0.898533 0.894322 O\n0.382559 0.882559 0.250000 O\n0.117441 0.617441 0.750000 O\n0.617441 0.117441 0.750000 O\n0.882559 0.382559 0.250000 O\n",
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],
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{
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"structure_string": "Pr1\n1.0\n-2.087273 2.087273 2.087273\n2.087273 -2.087273 2.087273\n2.087273 2.087273 -2.087273\nPr\n1\ndirect\n0.000000 0.000000 0.000000 Pr\n",
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{
"id": "mp-554323",
"created_at": "2022-09-04T14:39:05.322424Z",
"structure_string": "Ni12 B28 Br4 O52\n1.0\n8.595689 0.000000 0.000000\n0.000000 8.612079 0.000000\n0.000000 0.000000 12.174647\nNi B Br O\n12 28 4 52\ndirect\n0.972299 0.013132 0.506545 Ni\n0.250487 0.742281 0.231795 Ni\n0.527263 0.012984 0.504626 Ni\n0.027701 0.986868 0.006545 Ni\n0.027701 0.513132 0.506545 Ni\n0.749513 0.257719 0.731795 Ni\n0.749513 0.242281 0.231795 Ni\n0.472737 0.987016 0.004626 Ni\n0.472737 0.512984 0.504626 Ni\n0.527263 0.487016 0.004626 Ni\n0.972299 0.486868 0.006545 Ni\n0.250487 0.757719 0.731795 Ni\n0.750103 0.953932 0.853896 B\n0.501734 0.499074 0.253241 B\n0.501734 0.000926 0.753241 B\n0.596811 0.753478 0.173023 B\n0.996809 0.002904 0.753604 B\n0.096016 0.248041 0.673950 B\n0.249897 0.046068 0.353896 B\n0.996809 0.497096 0.253604 B\n0.498266 0.500926 0.753241 B\n0.754036 0.744177 0.501157 B\n0.249257 0.405832 0.326542 B\n0.403189 0.246522 0.673023 B\n0.249897 0.453932 0.853896 B\n0.403189 0.253478 0.173023 B\n0.903984 0.748041 0.673950 B\n0.903984 0.751959 0.173950 B\n0.249257 0.094168 0.826542 B\n0.096016 0.251959 0.173950 B\n0.754036 0.755823 0.001157 B\n0.003191 0.997096 0.253604 B\n0.750743 0.905832 0.326542 B\n0.750743 0.594168 0.826542 B\n0.596811 0.746522 0.673023 B\n0.003191 0.502904 0.753604 B\n0.245964 0.255823 0.001157 B\n0.245964 0.244177 0.501157 B\n0.750103 0.546068 0.353896 B\n0.498266 0.999074 0.253241 B\n0.250861 0.779501 0.017141 Br\n0.749139 0.279501 0.017141 Br\n0.749139 0.220499 0.517141 Br\n0.250861 0.720499 0.517141 Br\n0.027305 0.669414 0.733342 O\n0.827311 0.858507 0.428113 O\n0.827311 0.641493 0.928113 O\n0.910511 0.962906 0.857452 O\n0.172689 0.358507 0.428113 O\n0.089489 0.462906 0.857452 O\n0.668944 0.458941 0.277667 O\n0.940763 0.587543 0.158900 O\n0.329227 0.118317 0.438427 O\n0.668944 0.041059 0.777667 O\n0.670773 0.618317 0.438427 O\n0.749733 0.732698 0.743096 O\n0.591138 0.549293 0.848544 O\n0.837954 0.032150 0.273919 O\n0.363123 0.177306 0.069875 O\n0.027305 0.830586 0.233342 O\n0.636877 0.677306 0.069875 O\n0.542903 0.587457 0.654443 O\n0.479898 0.834298 0.733632 O\n0.520102 0.165702 0.233632 O\n0.331056 0.541059 0.777667 O\n0.162046 0.967850 0.773919 O\n0.972695 0.169414 0.733342 O\n0.408862 0.049293 0.848544 O\n0.457097 0.087457 0.654443 O\n0.250267 0.267302 0.243096 O\n0.670773 0.881683 0.938427 O\n0.591138 0.950707 0.348544 O\n0.479898 0.665702 0.233632 O\n0.363123 0.322694 0.569875 O\n0.059237 0.087543 0.158900 O\n0.059237 0.412457 0.658900 O\n0.837954 0.467850 0.773919 O\n0.089489 0.037094 0.357452 O\n0.875165 0.828112 0.068830 O\n0.636877 0.822694 0.569875 O\n0.408862 0.450707 0.348544 O\n0.972695 0.330586 0.233342 O\n0.542903 0.912543 0.154443 O\n0.457097 0.412543 0.154443 O\n0.124835 0.171888 0.568830 O\n0.875165 0.671888 0.568830 O\n0.172689 0.141493 0.928113 O\n0.940763 0.912457 0.658900 O\n0.331056 0.958941 0.277667 O\n0.124835 0.328112 0.068830 O\n0.910511 0.537094 0.357452 O\n0.250267 0.232698 0.743096 O\n0.749733 0.767302 0.243096 O\n0.329227 0.381683 0.938427 O\n0.520102 0.334298 0.733632 O\n0.162046 0.532150 0.273919 O\n",
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{
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"structure_string": "Se8 S16 N16 Cl16\n1.0\n9.656676 0.000000 0.000000\n0.000000 10.757553 0.000000\n0.000000 3.554566 13.724153\nSe S N Cl\n8 16 16 16\ndirect\n0.810781 0.355349 0.549457 Se\n0.689219 0.355349 0.049457 Se\n0.189219 0.644651 0.450543 Se\n0.780839 0.956374 0.499214 Se\n0.719161 0.956374 0.999214 Se\n0.280839 0.043626 0.000786 Se\n0.219161 0.043626 0.500786 Se\n0.310781 0.644651 0.950543 Se\n0.368467 0.185485 0.327720 S\n0.868467 0.814515 0.172280 S\n0.927599 0.444960 0.141172 S\n0.718545 0.215201 0.689706 S\n0.630754 0.756802 0.081727 S\n0.281455 0.784799 0.310294 S\n0.369246 0.243198 0.918273 S\n0.572401 0.444960 0.641172 S\n0.869246 0.756802 0.581727 S\n0.781455 0.215201 0.189706 S\n0.072401 0.555040 0.858828 S\n0.631533 0.814515 0.672280 S\n0.218545 0.784799 0.810294 S\n0.427599 0.555040 0.358828 S\n0.131533 0.185485 0.827720 S\n0.130754 0.243198 0.418273 S\n0.145847 0.057511 0.911173 N\n0.247080 0.280403 0.334578 N\n0.682734 0.475405 0.555673 N\n0.854153 0.942489 0.088827 N\n0.182734 0.524595 0.944327 N\n0.252920 0.280403 0.834578 N\n0.596432 0.307422 0.709101 N\n0.354153 0.057511 0.411173 N\n0.817266 0.475405 0.055673 N\n0.645847 0.942489 0.588827 N\n0.903568 0.307422 0.209101 N\n0.317266 0.524595 0.444327 N\n0.096432 0.692578 0.790899 N\n0.403568 0.692578 0.290899 N\n0.747080 0.719597 0.165422 N\n0.752920 0.719597 0.665422 N\n0.041344 0.908857 0.402285 Cl\n0.541344 0.091143 0.097715 Cl\n0.958656 0.091143 0.597715 Cl\n0.839412 0.891911 0.877285 Cl\n0.176430 0.731695 0.068322 Cl\n0.458656 0.908857 0.902285 Cl\n0.160588 0.108089 0.122715 Cl\n0.676430 0.268305 0.431678 Cl\n0.007311 0.554933 0.361092 Cl\n0.339412 0.108089 0.622715 Cl\n0.660588 0.891911 0.377285 Cl\n0.492689 0.554933 0.861092 Cl\n0.507311 0.445067 0.138908 Cl\n0.992689 0.445067 0.638908 Cl\n0.323570 0.731695 0.568322 Cl\n0.823570 0.268305 0.931678 Cl\n",
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{
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{
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{
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{
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"structure_string": "Lu1 Bi2 Br1 O4\n1.0\n3.877089 0.000000 0.000000\n0.000000 3.877089 0.000000\n0.000000 0.000000 9.276291\nLu Bi Br O\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.732670 Bi\n0.500000 0.500000 0.267330 Bi\n0.000000 0.000000 0.500000 Br\n0.500000 0.000000 0.855526 O\n0.000000 0.500000 0.855526 O\n0.500000 0.000000 0.144474 O\n0.000000 0.500000 0.144474 O\n",
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]
}