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{
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{
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"structure_string": "Ba20 Si8 N24\n1.0\n6.225961 0.000000 0.000000\n0.000000 10.537244 0.000000\n0.000000 0.000000 15.517376\nBa Si N\n20 8 24\ndirect\n0.343137 0.537241 0.818419 Ba\n0.843137 0.962759 0.181581 Ba\n0.656863 0.037241 0.681581 Ba\n0.156863 0.462759 0.318419 Ba\n0.408026 0.865769 0.009254 Ba\n0.908026 0.634231 0.990746 Ba\n0.591974 0.365769 0.490746 Ba\n0.091974 0.134231 0.509254 Ba\n0.426037 0.473893 0.099567 Ba\n0.926037 0.026107 0.900433 Ba\n0.573963 0.973893 0.400433 Ba\n0.073963 0.526107 0.599567 Ba\n0.422629 0.206948 0.934812 Ba\n0.922629 0.293052 0.065188 Ba\n0.577371 0.706948 0.565188 Ba\n0.077371 0.793052 0.434812 Ba\n0.669398 0.258798 0.268782 Ba\n0.169398 0.241202 0.731218 Ba\n0.330602 0.758798 0.231218 Ba\n0.830602 0.741202 0.768782 Ba\n0.191956 0.135270 0.305283 Si\n0.691956 0.364730 0.694717 Si\n0.808044 0.635270 0.194717 Si\n0.308044 0.864730 0.805283 Si\n0.309051 0.120265 0.147071 Si\n0.809051 0.379735 0.852929 Si\n0.690949 0.620265 0.352929 Si\n0.190949 0.879735 0.647071 Si\n0.048174 0.573773 0.150669 N\n0.548174 0.926227 0.849331 N\n0.951826 0.073773 0.349331 N\n0.451826 0.426227 0.650669 N\n0.945935 0.819319 0.607161 N\n0.445935 0.680681 0.392839 N\n0.054065 0.319319 0.892839 N\n0.554065 0.180681 0.107161 N\n0.145510 0.978799 0.742835 N\n0.645510 0.521201 0.257165 N\n0.854490 0.478799 0.757165 N\n0.354490 0.021201 0.242835 N\n0.147898 0.057823 0.063619 N\n0.647898 0.442177 0.936381 N\n0.852102 0.557823 0.436381 N\n0.352102 0.942177 0.563619 N\n0.156384 0.235166 0.212249 N\n0.656384 0.264834 0.787751 N\n0.843616 0.735166 0.287751 N\n0.343616 0.764834 0.712249 N\n0.148341 0.790464 0.885230 N\n0.648341 0.709536 0.114770 N\n0.851659 0.290464 0.614770 N\n0.351659 0.209536 0.385230 N\n",
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{
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"structure_string": "Li6 Mo6 P8 O32\n1.0\n8.369390 0.000000 0.000000\n0.000000 7.745278 0.000000\n0.000000 0.356103 10.260840\nLi Mo P O\n6 6 8 32\ndirect\n0.368567 0.663917 0.168492 Li\n0.868567 0.336083 0.831508 Li\n0.141088 0.141000 0.424218 Li\n0.129882 0.144332 0.921372 Li\n0.641088 0.859000 0.575782 Li\n0.629882 0.855668 0.078628 Li\n0.366065 0.640665 0.682638 Mo\n0.866065 0.359335 0.317362 Mo\n0.490576 0.245384 0.374649 Mo\n0.502000 0.235439 0.876802 Mo\n0.990576 0.754616 0.625351 Mo\n0.002000 0.764561 0.123198 Mo\n0.800326 0.953020 0.360546 P\n0.806650 0.948899 0.858925 P\n0.306650 0.051101 0.141075 P\n0.300326 0.046980 0.639454 P\n0.685558 0.458879 0.099268 P\n0.703316 0.444839 0.610965 P\n0.203316 0.555161 0.389035 P\n0.185558 0.541121 0.900732 P\n0.853958 0.805120 0.962575 O\n0.848920 0.807883 0.460785 O\n0.807646 0.884922 0.220999 O\n0.423457 0.902781 0.146371 O\n0.796933 0.861619 0.723052 O\n0.419225 0.892504 0.625608 O\n0.150505 0.682491 0.786361 O\n0.148339 0.693018 0.288386 O\n0.203119 0.641901 0.527425 O\n0.586682 0.599880 0.599651 O\n0.198336 0.634346 0.029291 O\n0.571810 0.607053 0.098623 O\n0.872537 0.507172 0.644631 O\n0.362143 0.482339 0.851054 O\n0.862143 0.517661 0.148946 O\n0.372537 0.492828 0.355369 O\n0.086682 0.400120 0.400349 O\n0.703119 0.358099 0.472575 O\n0.071810 0.392947 0.901377 O\n0.698336 0.365654 0.970709 O\n0.648339 0.306982 0.711614 O\n0.650505 0.317509 0.213639 O\n0.348920 0.192117 0.539215 O\n0.353958 0.194880 0.037425 O\n0.307646 0.115078 0.779001 O\n0.923457 0.097219 0.853629 O\n0.296933 0.138381 0.276948 O\n0.919225 0.107496 0.374392 O\n0.629439 0.011677 0.397133 O\n0.129439 0.988323 0.602867 O\n0.132921 0.995831 0.101772 O\n0.632921 0.004169 0.898228 O\n",
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{
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"structure_string": "Zn4 Cu8 P8 O32\n1.0\n2.539494 8.796965 0.000000\n-2.539494 8.796965 0.000000\n0.000000 8.109392 13.599955\nZn Cu P O\n4 8 8 32\ndirect\n0.164247 0.565861 0.123767 Zn\n0.434139 0.835753 0.376233 Zn\n0.565861 0.164247 0.623767 Zn\n0.835753 0.434139 0.876233 Zn\n0.364717 0.837184 0.031710 Cu\n0.162816 0.635283 0.468290 Cu\n0.635283 0.162816 0.968290 Cu\n0.000000 0.500000 0.000000 Cu\n0.837184 0.364717 0.531710 Cu\n0.646340 0.353660 0.750000 Cu\n0.353660 0.646340 0.250000 Cu\n0.500000 0.000000 0.500000 Cu\n0.492884 0.925681 0.140536 P\n0.810323 0.223989 0.393211 P\n0.507116 0.074319 0.859464 P\n0.223989 0.810323 0.893211 P\n0.925681 0.492884 0.640536 P\n0.074319 0.507116 0.359464 P\n0.189677 0.776011 0.606789 P\n0.776011 0.189677 0.106789 P\n0.187702 0.318031 0.893343 O\n0.611214 0.211212 0.081888 O\n0.318031 0.187702 0.393343 O\n0.652248 0.189858 0.476447 O\n0.639622 0.811763 0.942137 O\n0.695622 0.390429 0.298187 O\n0.810142 0.347752 0.023553 O\n0.918325 0.125004 0.883705 O\n0.347752 0.810142 0.523553 O\n0.788788 0.388786 0.418112 O\n0.633136 0.131596 0.854821 O\n0.985514 0.418538 0.737613 O\n0.388786 0.788788 0.918112 O\n0.125004 0.918325 0.383705 O\n0.812298 0.681969 0.106657 O\n0.366864 0.868404 0.145179 O\n0.418538 0.985514 0.237613 O\n0.189858 0.652248 0.976447 O\n0.131596 0.633136 0.354821 O\n0.014486 0.581462 0.262387 O\n0.874996 0.081675 0.616295 O\n0.811763 0.639622 0.442137 O\n0.081675 0.874996 0.116295 O\n0.390429 0.695622 0.798187 O\n0.211212 0.611214 0.581888 O\n0.681969 0.812298 0.606657 O\n0.581462 0.014486 0.762387 O\n0.188237 0.360378 0.557863 O\n0.360378 0.188237 0.057863 O\n0.609571 0.304378 0.201813 O\n0.304378 0.609571 0.701813 O\n0.868404 0.366864 0.645179 O\n",
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{
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{
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"total_magnetization": 0.0007556,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:10.287000Z",
"spacegroup": 62
}
]
}