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{
"id": "jvasp-11423",
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"structure_string": "Rb2 Sm4 Cu2 Se8\n1.0\n4.189278 -0.000000 -0.000000\n-2.094638 7.196648 0.000000\n0.000000 -0.000000 14.526477\nRb Sm Cu Se\n2 4 2 8\ndirect\n0.109910 0.219821 0.750000 Rb\n0.890090 0.780179 0.250000 Rb\n0.634367 0.268734 0.063354 Sm\n0.365633 0.731266 0.936647 Sm\n0.634367 0.268734 0.436647 Sm\n0.365633 0.731266 0.563354 Sm\n0.838704 0.677408 0.750000 Cu\n0.161296 0.322592 0.250000 Cu\n0.568043 0.136086 0.250000 Se\n0.431957 0.863914 0.750000 Se\n0.264028 0.528056 0.112255 Se\n0.735972 0.471944 0.887746 Se\n0.000000 0.000000 0.500000 Se\n0.000000 0.000000 0.000000 Se\n0.264028 0.528056 0.387745 Se\n0.735972 0.471944 0.612255 Se\n",
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"structure_string": "H20 C8 Cl4 O4\n1.0\n5.906024 0.000000 -2.134186\n0.000000 7.779288 0.000000\n-0.046583 0.000000 8.066731\nH C Cl O\n20 8 4 4\ndirect\n0.462507 0.833454 0.049427 H\n0.448756 0.438030 0.150329 H\n0.938329 0.237132 0.793644 H\n0.614948 0.520247 0.653030 H\n0.948756 0.061970 0.650328 H\n0.885052 0.020247 0.846969 H\n0.051244 0.938031 0.349671 H\n0.537493 0.166547 0.950572 H\n0.191298 0.815062 0.669586 H\n0.438329 0.262868 0.293644 H\n0.551244 0.561970 0.849671 H\n0.061671 0.762868 0.206355 H\n0.037493 0.333454 0.450572 H\n0.691297 0.684939 0.169586 H\n0.114948 0.979753 0.153031 H\n0.808702 0.184939 0.330413 H\n0.962507 0.666547 0.549427 H\n0.308702 0.315062 0.830413 H\n0.385052 0.479753 0.346969 H\n0.561671 0.737132 0.706355 H\n0.483486 0.399193 0.288531 C\n0.132251 0.681202 0.648039 C\n0.983486 0.100807 0.788531 C\n0.516514 0.600807 0.711468 C\n0.632250 0.818798 0.148039 C\n0.867749 0.318798 0.351960 C\n0.016514 0.899193 0.211469 C\n0.367750 0.181202 0.851960 C\n0.094190 0.622395 0.862173 Cl\n0.594189 0.877605 0.362173 Cl\n0.405811 0.122395 0.637826 Cl\n0.905810 0.377605 0.137826 Cl\n0.780282 0.926512 0.108688 O\n0.719717 0.426511 0.391311 O\n0.280283 0.573489 0.608688 O\n0.219718 0.073489 0.891311 O\n",
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{
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"structure_string": "Ga2 Ge4 Pb3 O14\n1.0\n4.245041 -7.352628 0.000000\n4.245041 7.352628 -0.000000\n0.000000 -0.000000 5.009172\nGa Ge Pb O\n2 4 3 14\ndirect\n0.666667 0.333333 0.493177 Ga\n0.333333 0.666667 0.506823 Ga\n0.244035 -0.000000 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n-0.000000 0.244035 0.500000 Ge\n0.755964 0.755964 0.500000 Ge\n0.571259 -0.000000 0.000000 Pb\n-0.000000 0.571259 0.000000 Pb\n0.428741 0.428741 0.000000 Pb\n0.158280 0.448530 0.668770 O\n0.911834 0.791542 0.766758 O\n0.088166 0.879709 0.233242 O\n0.709750 0.551470 0.331230 O\n0.448530 0.158280 0.331230 O\n0.879709 0.088166 0.766758 O\n0.290250 0.841720 0.668770 O\n0.120291 0.208457 0.233242 O\n0.791542 0.911834 0.233242 O\n0.333333 0.666667 0.148644 O\n0.551470 0.709750 0.668770 O\n0.666667 0.333333 0.851355 O\n0.841720 0.290250 0.331230 O\n0.208457 0.120291 0.766758 O\n",
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"structure_string": "Ba1 Y2 Ni1 O5\n1.0\n3.595406 0.000000 -1.063493\n-0.743768 5.155988 -2.514493\n0.020009 0.014364 6.676977\nBa Y Ni O\n1 2 1 5\ndirect\n0.000000 0.000000 0.000000 Ba\n0.798160 0.298159 0.596319 Y\n0.201842 0.701842 0.403682 Y\n0.500001 0.500000 0.000002 Ni\n0.350380 0.109639 0.700760 O\n0.649621 0.890361 0.299241 O\n0.649620 0.408879 0.299241 O\n0.350381 0.591120 0.700760 O\n-0.000000 0.500000 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:36:22.568074Z",
"updated_at": "2022-09-04T14:36:22.568098Z",
"structure_string": "Li1 La1 Ti2 O6\n1.0\n4.752791 -0.000000 2.744025\n1.584264 4.480975 2.744025\n-0.000000 -0.000000 5.488051\nLi La Ti O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.499999 0.500001 La\n0.250000 0.250000 0.250001 Ti\n0.749999 0.749999 0.750002 Ti\n0.500000 0.000000 0.000000 O\n-0.000000 0.499999 0.500001 O\n0.000000 0.000000 0.500000 O\n0.500000 0.499999 0.000001 O\n-0.000000 0.499999 0.000001 O\n0.500000 0.000000 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:36:19.644894Z",
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"structure_string": "Ba2 Pr1 Nb1 O6\n1.0\n5.317872 -0.023207 3.014104\n1.745441 5.023421 3.014164\n-0.032864 -0.023192 6.112390\nBa Pr Nb O\n2 1 1 6\ndirect\n0.251960 0.251968 0.251965 Ba\n0.748041 0.748032 0.748034 Ba\n0.000000 0.000000 -0.000000 Pr\n0.500000 0.500000 0.499999 Nb\n0.788185 0.672379 0.274441 O\n0.274428 0.788174 0.672394 O\n0.672381 0.274424 0.788192 O\n0.211815 0.327621 0.725557 O\n0.327619 0.725576 0.211807 O\n0.725572 0.211826 0.327605 O\n",
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"structure_string": "Li1 Ni3 O3 F1\n1.0\n2.879201 -0.000000 -0.000000\n-0.000000 2.879201 0.000000\n-0.000000 -0.000000 8.768648\nLi Ni O F\n1 3 3 1\ndirect\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.255222 Ni\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.744778 Ni\n0.500000 0.500000 0.252416 O\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.747584 O\n0.000000 0.000000 0.000000 F\n",
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"created_at": "2022-09-04T14:36:14.669759Z",
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]
}