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{
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"structure_string": "Cu2 H20 S2 O18\n1.0\n5.880200 0.000000 0.000000\n-0.865557 6.745790 0.000000\n-2.100467 -2.453585 11.412683\nCu H S O\n2 20 2 18\ndirect\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.448735 0.283028 0.587109 H\n0.417348 0.592997 0.828393 H\n0.968081 0.165053 0.774767 H\n0.031919 0.834947 0.225233 H\n0.529452 0.249707 0.816346 H\n0.730771 0.863357 0.266235 H\n0.964516 0.675148 0.554059 H\n0.665667 0.789482 0.431274 H\n0.582652 0.407003 0.171607 H\n0.022615 0.323856 0.948088 H\n0.503182 0.999862 0.760658 H\n0.977385 0.676144 0.051912 H\n0.496818 0.000138 0.239342 H\n0.470548 0.750293 0.183654 H\n0.269229 0.136643 0.733765 H\n0.551265 0.716972 0.412891 H\n0.334333 0.210518 0.568726 H\n0.950264 0.289329 0.670281 H\n0.049736 0.710671 0.329719 H\n0.035484 0.324852 0.445941 H\n0.735568 0.659079 0.760694 S\n0.264432 0.340921 0.239306 S\n0.578076 0.881079 0.212328 O\n0.047385 0.251910 0.151564 O\n0.940356 0.191069 0.903600 O\n0.980430 0.824707 0.304373 O\n0.770892 0.500402 0.669433 O\n0.436974 0.463668 0.168820 O\n0.547164 0.926125 0.982592 O\n0.088656 0.778105 0.545359 O\n0.952615 0.748090 0.848436 O\n0.602809 0.808329 0.719084 O\n0.563026 0.536332 0.831180 O\n0.229108 0.499598 0.330567 O\n0.911344 0.221895 0.454641 O\n0.452836 0.073875 0.017408 O\n0.397191 0.191671 0.280916 O\n0.019570 0.175293 0.695627 O\n0.059644 0.808931 0.096400 O\n0.421924 0.118921 0.787672 O\n",
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{
"id": "mp-1196424",
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"structure_string": "Cd24 P48 N96\n1.0\n-0.000000 0.000000 -7.914444\n-8.510230 -14.740151 -0.000000\n-8.510415 14.740258 -0.000000\nCd P N\n24 48 96\ndirect\n0.500000 0.000004 -0.000000 Cd\n-0.000000 0.999996 0.000000 Cd\n0.997287 0.666650 0.333319 Cd\n0.002713 0.333331 0.666681 Cd\n0.497287 0.333350 0.666681 Cd\n0.502713 0.666669 0.333319 Cd\n0.500000 0.474655 0.000000 Cd\n0.499998 0.525362 0.525356 Cd\n0.500002 0.000006 0.474644 Cd\n0.000000 0.525345 1.000000 Cd\n0.999998 0.474638 0.474644 Cd\n0.000002 0.999994 0.525356 Cd\n0.006522 0.805342 0.144954 Cd\n0.006499 0.339617 0.194660 Cd\n0.006537 0.855036 0.660366 Cd\n0.993478 0.660388 0.855046 Cd\n0.993501 0.144957 0.805340 Cd\n0.993463 0.194670 0.339634 Cd\n0.506522 0.194658 0.855046 Cd\n0.506499 0.660384 0.805340 Cd\n0.506537 0.144964 0.339634 Cd\n0.493478 0.339612 0.144954 Cd\n0.493501 0.855043 0.194660 Cd\n0.493463 0.805330 0.660366 Cd\n0.303070 0.831020 0.999233 P\n0.303052 0.168211 0.168971 P\n0.303071 0.000764 0.831785 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{
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"created_at": "2022-09-04T14:48:10.384800Z",
"structure_string": "Ga8 Te8 Mo4 O40\n1.0\n6.161331 0.000000 0.000000\n0.000000 8.964991 0.000000\n0.000000 0.000000 15.302376\nGa Te Mo O\n8 8 4 40\ndirect\n0.495628 0.506148 0.852193 Ga\n0.504372 0.493852 0.147807 Ga\n0.495628 0.006148 0.647807 Ga\n0.995628 0.493852 0.147807 Ga\n0.004372 0.006148 0.647807 Ga\n0.995628 0.993852 0.352193 Ga\n0.004372 0.506148 0.852193 Ga\n0.504372 0.993852 0.352193 Ga\n0.750000 0.688086 0.684217 Te\n0.750000 0.754257 0.008412 Te\n0.250000 0.245743 0.991588 Te\n0.750000 0.188086 0.815783 Te\n0.250000 0.811914 0.184217 Te\n0.750000 0.254257 0.491588 Te\n0.250000 0.311914 0.315783 Te\n0.250000 0.745743 0.508412 Te\n0.250000 0.325537 0.664264 Mo\n0.250000 0.825537 0.835736 Mo\n0.750000 0.674463 0.335736 Mo\n0.750000 0.174463 0.164264 Mo\n0.016860 0.824914 0.575758 O\n0.485556 0.832957 0.265687 O\n0.983140 0.675086 0.075758 O\n0.750000 0.585269 0.224650 O\n0.483140 0.324914 0.924242 O\n0.750000 0.085269 0.275350 O\n0.528807 0.090970 0.110906 O\n0.250000 0.903645 0.423302 O\n0.483140 0.824914 0.575758 O\n0.750000 0.403836 0.796212 O\n0.983140 0.175086 0.424242 O\n0.971193 0.090970 0.110906 O\n0.028807 0.909030 0.889094 O\n0.250000 0.625373 0.895262 O\n0.250000 0.914731 0.724650 O\n0.750000 0.874627 0.395262 O\n0.750000 0.596355 0.923302 O\n0.528807 0.590970 0.389094 O\n0.514444 0.167043 0.734313 O\n0.750000 0.374627 0.104738 O\n0.250000 0.403645 0.076698 O\n0.471193 0.909030 0.889094 O\n0.014444 0.332957 0.234313 O\n0.985556 0.667043 0.765687 O\n0.971193 0.590970 0.389094 O\n0.514444 0.667043 0.765687 O\n0.250000 0.125373 0.604738 O\n0.250000 0.596164 0.203788 O\n0.516860 0.675086 0.075758 O\n0.516860 0.175086 0.424242 O\n0.028807 0.409030 0.610906 O\n0.250000 0.096164 0.296212 O\n0.985556 0.167043 0.734313 O\n0.471193 0.409030 0.610906 O\n0.750000 0.903836 0.703788 O\n0.485556 0.332957 0.234313 O\n0.250000 0.414731 0.775350 O\n0.750000 0.096355 0.576698 O\n0.016860 0.324914 0.924242 O\n0.014444 0.832957 0.265687 O\n",
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{
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"structure_string": "H12 N8 O18\n1.0\n13.719436 0.000000 0.000000\n0.000000 4.538504 0.000000\n0.000000 0.399604 6.932063\nH N O\n12 8 18\ndirect\n0.958544 0.653229 0.177417 H\n0.458544 0.346771 0.822583 H\n0.020890 0.190673 0.498500 H\n0.927515 0.562366 0.632537 H\n0.427515 0.437634 0.367463 H\n0.520890 0.809327 0.501500 H\n0.555872 0.913144 0.121193 H\n0.055872 0.086856 0.878807 H\n0.135275 0.096255 0.306026 H\n0.862471 0.229551 0.083409 H\n0.362471 0.770449 0.916591 H\n0.635275 0.903745 0.693974 H\n0.489035 0.835429 0.072463 N\n0.989035 0.164571 0.927537 N\n0.979094 0.807968 0.420548 N\n0.479094 0.192032 0.579452 N\n0.271681 0.127435 0.242111 N\n0.744077 0.369253 0.208771 N\n0.244077 0.630747 0.791229 N\n0.771681 0.872565 0.757889 N\n0.017658 0.710604 0.246249 O\n0.517658 0.289396 0.753751 O\n0.055016 0.999395 0.479087 O\n0.987288 0.549455 0.554984 O\n0.487288 0.450545 0.445016 O\n0.555016 0.000605 0.520913 O\n0.286063 0.901471 0.342216 O\n0.717697 0.547523 0.321608 O\n0.217697 0.452477 0.678392 O\n0.786063 0.098529 0.657784 O\n0.333568 0.287301 0.158638 O\n0.696505 0.214816 0.105355 O\n0.196505 0.785184 0.894645 O\n0.833568 0.712699 0.841362 O\n0.177750 0.223642 0.213610 O\n0.847603 0.338257 0.200123 O\n0.347603 0.661743 0.799877 O\n0.677750 0.776358 0.786390 O\n",
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},
{
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"structure_string": "Hg4 S16 N12 Cl12\n1.0\n17.726755 0.000000 0.000000\n0.000000 6.374055 0.000000\n0.000000 2.881456 9.592800\nHg S N Cl\n4 16 12 12\ndirect\n0.572374 0.210808 0.555950 Hg\n0.427626 0.789192 0.444050 Hg\n0.927626 0.210808 0.055950 Hg\n0.072374 0.789192 0.944050 Hg\n0.547014 0.700852 0.098116 S\n0.736223 0.655896 0.527667 S\n0.047014 0.299148 0.401884 S\n0.452986 0.299148 0.901884 S\n0.822874 0.926043 0.678958 S\n0.952986 0.700852 0.598116 S\n0.177126 0.073957 0.321042 S\n0.829986 0.499987 0.464830 S\n0.263777 0.344104 0.472333 S\n0.236223 0.344104 0.972333 S\n0.670014 0.499987 0.964830 S\n0.763777 0.655896 0.027667 S\n0.170014 0.500013 0.535170 S\n0.329986 0.500013 0.035170 S\n0.322874 0.073957 0.821042 S\n0.677126 0.926043 0.178958 S\n0.092811 0.432713 0.481349 N\n0.907189 0.567287 0.518651 N\n0.591960 0.860902 0.164713 N\n0.739062 0.819541 0.109956 N\n0.760938 0.819541 0.609956 N\n0.239062 0.180459 0.390044 N\n0.592811 0.567287 0.018651 N\n0.260938 0.180459 0.890044 N\n0.091960 0.139098 0.335287 N\n0.407189 0.432713 0.981349 N\n0.408040 0.139098 0.835287 N\n0.908040 0.860902 0.664713 N\n0.322521 0.661535 0.628068 Cl\n0.451627 0.274835 0.432453 Cl\n0.876429 0.115691 0.289492 Cl\n0.951627 0.725165 0.067547 Cl\n0.677479 0.338465 0.371932 Cl\n0.123571 0.884309 0.710508 Cl\n0.048373 0.274835 0.932453 Cl\n0.177479 0.661535 0.128068 Cl\n0.548373 0.725165 0.567547 Cl\n0.822521 0.338465 0.871932 Cl\n0.376429 0.884309 0.210508 Cl\n0.623571 0.115691 0.789492 Cl\n",
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