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{
"id": "jvasp-36727",
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{
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"structure_string": "Na6 Mn2 P2 C2 O14\n1.0\n0.000000 5.282388 -0.002550\n6.621327 0.000000 0.000000\n0.000000 -0.077293 -9.002156\nNa Mn P C O\n6 2 2 2 14\ndirect\n-0.000040 0.513567 0.999952 Na\n0.560739 0.763701 0.836402 Na\n0.500109 0.513412 0.500065 Na\n0.499892 0.013412 0.499935 Na\n0.439262 0.263701 0.163599 Na\n0.000041 0.013567 0.000049 Na\n0.979963 0.263456 0.704567 Mn\n0.020038 0.763456 0.295433 Mn\n0.984093 0.263470 0.342675 P\n0.015908 0.763470 0.657325 P\n0.502719 0.263477 0.850410 C\n0.497282 0.763477 0.149590 C\n0.072620 0.450419 0.251038 O\n0.072867 0.076514 0.251129 O\n0.443192 0.763338 0.288982 O\n0.696382 0.263390 0.364561 O\n0.127414 0.263578 0.494837 O\n0.872587 0.763579 0.505164 O\n0.680849 0.263519 0.950776 O\n0.556809 0.263337 0.711019 O\n0.927134 0.576514 0.748871 O\n0.927381 0.950419 0.748962 O\n0.265802 0.263562 0.892937 O\n0.734199 0.763562 0.107063 O\n0.303619 0.763390 0.635439 O\n0.319152 0.763519 0.049225 O\n",
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{
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"structure_string": "Sr1 La1 Tl1 Cu1 O5\n1.0\n3.786608 -0.000000 0.000000\n0.000000 3.786608 0.000000\n-0.000000 -0.000000 8.901052\nSr La Tl Cu O\n1 1 1 1 5\ndirect\n0.500000 0.500000 0.784421 Sr\n0.500000 0.500000 0.197012 La\n0.000000 0.000000 0.497873 Tl\n0.000000 0.000000 0.988280 Cu\n0.000000 0.000000 0.734248 O\n0.000000 0.000000 0.259758 O\n-0.000000 0.500000 0.008518 O\n0.500000 0.000000 0.008518 O\n0.500000 0.500000 0.481371 O\n",
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{
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"created_at": "2022-09-04T14:38:09.037639Z",
"updated_at": "2022-09-04T14:38:09.037665Z",
"structure_string": "Te4 Mo3 W1 Se2 S2\n1.0\n3.408458 -0.000004 -0.000012\n-1.704233 2.951807 -0.000012\n-0.000120 -0.000211 36.382649\nTe Mo W Se S\n4 3 1 2 2\ndirect\n0.333333 0.666674 0.331082 Te\n0.333358 0.666704 0.709715 Te\n0.333334 0.666659 0.227443 Te\n0.333336 0.666660 0.606740 Te\n0.333324 0.666651 0.096601 Mo\n0.333336 0.666671 0.468789 Mo\n0.666680 0.333350 0.658270 Mo\n0.666666 0.333335 0.279295 W\n0.666661 0.333323 0.423503 Se\n0.666675 0.333354 0.514066 Se\n0.666654 0.333310 0.055380 S\n0.666659 0.333325 0.137868 S\n",
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{
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"created_at": "2022-09-04T14:38:08.730139Z",
"updated_at": "2022-09-04T14:38:08.730167Z",
"structure_string": "Na2 Ca2 Ta2 Ti2 O12\n1.0\n0.000000 5.431481 -0.001247\n5.535907 0.000000 0.000000\n0.000000 -5.420338 -7.741592\nNa Ca Ta Ti O\n2 2 2 2 12\ndirect\n0.752750 0.275682 0.749849 Na\n0.752750 0.724319 0.249849 Na\n0.237537 0.799179 0.749294 Ca\n0.237537 0.200822 0.249294 Ca\n0.493222 0.258384 -0.001045 Ta\n0.493222 0.741616 0.498954 Ta\n0.993328 0.254090 0.501452 Ti\n0.993328 0.745911 0.001453 Ti\n0.842871 0.457843 0.043027 O\n0.176949 0.962894 0.462803 O\n0.755665 0.964015 0.037831 O\n0.322764 0.231073 0.748340 O\n0.670698 0.268777 0.251601 O\n0.755664 0.035986 0.537831 O\n0.842870 0.542158 0.543027 O\n0.176949 0.037106 0.962803 O\n0.254218 0.451625 0.456848 O\n0.322764 0.768928 0.248340 O\n0.254218 0.548375 0.956848 O\n0.670697 0.731223 0.751601 O\n",
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{
"id": "jvasp-28947",
"created_at": "2022-09-04T14:38:08.689394Z",
"updated_at": "2022-09-04T14:38:08.689411Z",
"structure_string": "Te2 Mo2 W2 Se4 S2\n1.0\n3.348727 -0.000000 0.000002\n-1.674364 2.900075 0.000000\n0.000019 0.000015 37.947006\nTe Mo W Se S\n2 2 2 4 2\ndirect\n0.333357 0.666712 0.331846 Te\n0.333355 0.666708 0.231654 Te\n0.333317 0.666631 0.469707 Mo\n0.666688 0.333374 0.281759 Mo\n0.333315 0.666627 0.093937 W\n0.666687 0.333373 0.657525 W\n0.333352 0.666701 0.701535 Se\n0.666648 0.333293 0.425774 Se\n0.666647 0.333292 0.513661 Se\n0.333355 0.666708 0.613334 Se\n0.666647 0.333291 0.053888 S\n0.666648 0.333292 0.134126 S\n",
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{
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"created_at": "2022-09-04T14:38:18.253345Z",
"updated_at": "2022-09-04T14:38:18.253359Z",
"structure_string": "Ba1 Nd1 Mn1 Co1 O5\n1.0\n3.900436 -0.000000 0.000000\n0.000000 3.900436 0.000000\n-0.000000 -0.000000 7.712247\nBa Nd Mn Co O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.986652 Ba\n0.000000 0.000000 0.505047 Nd\n0.500001 0.500001 0.263879 Mn\n0.500001 0.500001 0.706767 Co\n0.500001 0.000000 0.702807 O\n-0.000000 0.500001 0.702807 O\n0.500001 0.000000 0.303432 O\n-0.000000 0.500001 0.303432 O\n0.500001 0.500001 0.025178 O\n",
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{
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"created_at": "2022-09-04T14:38:09.049029Z",
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"structure_string": "K4 Cr2 P2 C2 O14\n1.0\n0.000000 5.500074 -0.035356\n6.612280 0.000000 0.000000\n0.000000 0.000968 -9.625883\nK Cr P C O\n4 2 2 2 14\ndirect\n0.244153 0.473264 0.244786 K\n0.244153 0.026736 0.244786 K\n0.755847 0.526736 0.755214 K\n0.755847 0.973264 0.755214 K\n0.773267 0.750000 0.356296 Cr\n0.226732 0.250000 0.643704 Cr\n0.722499 0.250000 0.432269 P\n0.277500 0.750000 0.567731 P\n0.725952 0.750000 0.103892 C\n0.274047 0.250000 0.896109 C\n0.454471 0.250000 0.804237 O\n0.229508 0.940816 0.658075 O\n0.229508 0.559184 0.658075 O\n0.892192 0.250000 0.560117 O\n0.550333 0.750000 0.520957 O\n0.449667 0.250000 0.479044 O\n0.936999 0.750000 0.167735 O\n0.770492 0.440816 0.341925 O\n0.770492 0.059184 0.341925 O\n0.545529 0.750000 0.195763 O\n0.063001 0.250000 0.832265 O\n0.302477 0.250000 0.023883 O\n0.107808 0.750000 0.439883 O\n0.697523 0.750000 0.976117 O\n",
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"structure_string": "Na4 P2 Ru2 C2 O14\n1.0\n0.000000 5.146624 0.027932\n6.513640 0.000000 0.000000\n0.000000 -0.234163 -9.015051\nNa P Ru C O\n4 2 2 2 14\ndirect\n0.758910 0.989593 0.239895 Na\n0.758910 0.510407 0.239895 Na\n0.241090 0.489593 0.760105 Na\n0.241090 0.010407 0.760105 Na\n0.290520 0.750000 0.417612 P\n0.709480 0.250000 0.582388 P\n0.211373 0.250000 0.343610 Ru\n0.788627 0.750000 0.656390 Ru\n0.289161 0.250000 0.071503 C\n0.710839 0.750000 0.928497 C\n0.522916 0.750000 0.823475 O\n0.797989 0.061271 0.676223 O\n0.797989 0.438729 0.676223 O\n0.160378 0.750000 0.569875 O\n0.407866 0.250000 0.559248 O\n0.592134 0.750000 0.440752 O\n0.058061 0.250000 0.130892 O\n0.202011 0.561271 0.323777 O\n0.202011 0.938729 0.323777 O\n0.477084 0.250000 0.176525 O\n0.941939 0.750000 0.869108 O\n0.670862 0.750000 0.063673 O\n0.839622 0.250000 0.430125 O\n0.329138 0.250000 0.936327 O\n",
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"structure_string": "B1 H6 C1 N3 F4\n1.0\n5.119907 -0.125189 -0.125387\n-0.133231 5.119703 -0.125387\n-0.133231 -0.133441 5.119498\nB H C N F\n1 6 1 3 4\ndirect\n0.421270 0.421269 0.421270 B\n0.744384 0.979407 0.297426 H\n0.979411 0.744382 0.297426 H\n0.297427 0.979405 0.744382 H\n0.979411 0.297425 0.744382 H\n0.297427 0.744384 0.979406 H\n0.744384 0.297428 0.979406 H\n0.008719 0.008719 0.008721 C\n0.905145 0.905143 0.217278 N\n0.905145 0.217278 0.905143 N\n0.217280 0.905143 0.905143 N\n0.465992 0.465992 0.154736 F\n0.465991 0.154736 0.465990 F\n0.154737 0.465992 0.465990 F\n0.587285 0.587286 0.587284 F\n",
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{
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"created_at": "2022-09-04T14:38:18.158761Z",
"updated_at": "2022-09-04T14:38:18.158782Z",
"structure_string": "Li2 Mn1 Fe1 B2 O6\n1.0\n5.163435 -0.004354 -0.029034\n-2.563735 4.514180 0.016082\n-2.403981 -1.445578 5.194593\nLi Mn Fe B O\n2 1 1 2 6\ndirect\n0.549800 0.619267 0.315108 Li\n0.451032 0.381055 0.683005 Li\n0.833497 0.248274 0.233708 Mn\n0.161075 0.748269 0.764134 Fe\n0.179748 0.921383 0.258486 B\n0.821176 0.079503 0.742819 B\n0.940865 0.682313 0.306298 O\n0.376092 0.870951 0.179557 O\n0.234259 0.210136 0.297501 O\n0.779317 0.795868 0.706314 O\n0.610418 0.116428 0.811614 O\n0.062713 0.326556 0.701456 O\n",
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]
}