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{
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{
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{
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"structure_string": "Ba1 Mg30 Mn1 O32\n1.0\n8.666479 0.000000 0.000000\n0.000000 8.666479 0.000000\n0.000000 0.000000 8.666233\nBa Mg Mn O\n1 30 1 32\ndirect\n0.500000 0.500000 0.000000 Ba\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.243382 0.243382 0.000000 Mg\n0.756618 0.243382 0.000000 Mg\n0.243382 0.756618 0.000000 Mg\n0.756618 0.756618 0.000000 Mg\n0.249365 0.249365 0.500000 Mg\n0.750635 0.249365 0.500000 Mg\n0.249365 0.750635 0.500000 Mg\n0.750635 0.750635 0.500000 Mg\n0.250198 0.000000 0.251518 Mg\n0.749802 0.000000 0.251518 Mg\n0.242470 0.500000 0.257387 Mg\n0.757530 0.500000 0.257387 Mg\n0.250198 0.000000 0.748482 Mg\n0.749802 0.000000 0.748482 Mg\n0.242470 0.500000 0.742613 Mg\n0.757530 0.500000 0.742613 Mg\n0.000000 0.250198 0.251518 Mg\n0.500000 0.242470 0.257387 Mg\n0.000000 0.749802 0.251518 Mg\n0.500000 0.757530 0.257387 Mg\n0.000000 0.250198 0.748482 Mg\n0.500000 0.242470 0.742613 Mg\n0.000000 0.749802 0.748482 Mg\n0.500000 0.757530 0.742613 Mg\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.257758 O\n0.500000 0.000000 0.256398 O\n0.000000 0.500000 0.256398 O\n0.500000 0.500000 0.278996 O\n0.000000 0.000000 0.742242 O\n0.500000 0.000000 0.743602 O\n0.000000 0.500000 0.743602 O\n0.500000 0.500000 0.721004 O\n0.250315 0.250315 0.249160 O\n0.749685 0.250315 0.249160 O\n0.250315 0.749685 0.249160 O\n0.749685 0.749685 0.249160 O\n0.250315 0.250315 0.750840 O\n0.749685 0.250315 0.750840 O\n0.250315 0.749685 0.750840 O\n0.749685 0.749685 0.750840 O\n0.250974 0.000000 0.000000 O\n0.749026 0.000000 0.000000 O\n0.221423 0.500000 0.000000 O\n0.778577 0.500000 0.000000 O\n0.249361 0.000000 0.500000 O\n0.750639 0.000000 0.500000 O\n0.244459 0.500000 0.500000 O\n0.755541 0.500000 0.500000 O\n0.000000 0.250974 0.000000 O\n0.500000 0.221423 0.000000 O\n0.000000 0.749026 0.000000 O\n0.500000 0.778577 0.000000 O\n0.000000 0.249361 0.500000 O\n0.500000 0.244459 0.500000 O\n0.000000 0.750639 0.500000 O\n0.500000 0.755541 0.500000 O\n",
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{
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{
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"structure_string": "Na8 P8 H20 N8 O22\n1.0\n8.269148 -0.021360 2.076324\n0.125364 8.549749 1.032127\n0.011801 -0.039302 10.306253\nNa P H N O\n8 8 20 8 22\ndirect\n0.165001 0.627549 0.056732 Na\n0.834999 0.372451 0.943268 Na\n0.952408 0.679786 0.411372 Na\n0.047592 0.320214 0.588628 Na\n0.470572 0.382340 0.893965 Na\n0.529428 0.617660 0.106035 Na\n0.903711 0.074448 0.397232 Na\n0.096289 0.925552 0.602768 Na\n0.276267 0.267530 0.237451 P\n0.723733 0.732470 0.762549 P\n0.635774 0.906212 0.260745 P\n0.364226 0.093788 0.739255 P\n0.282375 0.911633 0.248746 P\n0.717625 0.088367 0.751254 P\n0.618496 0.260135 0.270172 P\n0.381504 0.739865 0.729828 P\n0.001786 0.429298 0.265027 H\n0.998214 0.570702 0.734973 H\n0.852535 0.498388 0.212691 H\n0.147465 0.501612 0.787309 H\n0.671999 0.109919 0.093079 H\n0.328001 0.890081 0.906921 H\n0.378675 0.212624 0.426937 H\n0.621325 0.787376 0.573063 H\n0.875409 0.815084 0.043460 H\n0.124591 0.184916 0.956540 H\n0.003461 0.891147 0.917264 H\n0.996539 0.108853 0.082736 H\n0.324344 0.105778 0.067196 H\n0.675656 0.894222 0.932804 H\n0.753317 0.388912 0.473422 H\n0.246683 0.611088 0.526578 H\n0.401406 0.850427 0.429001 H\n0.598594 0.149573 0.570999 H\n0.710438 0.513128 0.577878 H\n0.289562 0.486872 0.422122 H\n0.435556 0.886256 0.327408 N\n0.564444 0.113744 0.672592 N\n0.298456 0.095878 0.170007 N\n0.701544 0.904122 0.829993 N\n0.414854 0.270192 0.331159 N\n0.585146 0.729808 0.668841 N\n0.668691 0.095608 0.193711 N\n0.331309 0.904392 0.806289 N\n0.989460 0.806997 0.989922 O\n0.010540 0.193003 0.010078 O\n0.956422 0.527585 0.227472 O\n0.043578 0.472415 0.772528 O\n0.112427 0.272990 0.336939 O\n0.887573 0.727010 0.663061 O\n0.720573 0.871052 0.374130 O\n0.279427 0.128948 0.625870 O\n0.689098 0.246073 0.392365 O\n0.310902 0.753927 0.607635 O\n0.127760 0.899184 0.360601 O\n0.872240 0.100816 0.639399 O\n0.801087 0.457086 0.524746 O\n0.198913 0.542914 0.475254 O\n0.671643 0.395640 0.162393 O\n0.328357 0.604360 0.837607 O\n0.684663 0.815995 0.138328 O\n0.315337 0.184005 0.861672 O\n0.319528 0.396369 0.121841 O\n0.680472 0.603631 0.878159 O\n0.306504 0.805292 0.137892 O\n0.693496 0.194708 0.862108 O\n",
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}
]
}