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"structure_string": "Na6 Al2 H12\n1.0\n0.000000 5.339660 0.000135\n5.527076 0.000000 0.000000\n0.000000 -5.336457 -7.689258\nNa Al H\n6 2 12\ndirect\n0.500000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.242926 0.953134 0.752931 Na\n0.757074 0.453134 0.747070 Na\n0.757075 0.046867 0.247070 Na\n0.242926 0.546867 0.252931 Na\n0.000000 0.000000 0.000000 Al\n-0.000000 0.500000 0.500000 Al\n0.681862 0.452691 0.282980 H\n0.318138 0.952691 0.217020 H\n0.772309 0.669392 0.544851 H\n0.227691 0.169391 0.955150 H\n0.227691 0.330609 0.455149 H\n0.902537 0.268710 0.062998 H\n0.097464 0.731291 0.937003 H\n0.902536 0.231290 0.562998 H\n0.681862 0.047309 0.782981 H\n0.097464 0.768710 0.437003 H\n0.772309 0.830610 0.044851 H\n0.318138 0.547310 0.717020 H\n",
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"structure_string": "In4 Co4 O12\n1.0\n0.000000 5.116958 -0.000489\n7.419988 0.000000 0.000000\n0.000000 -0.000474 -5.312544\nIn Co O\n4 4 12\ndirect\n0.978608 0.750000 0.062049 In\n0.521387 0.750000 0.562053 In\n0.478614 0.250000 0.437947 In\n0.021393 0.250000 0.937950 In\n0.000000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Co\n0.198501 0.063815 0.202502 O\n0.301496 0.063814 0.702504 O\n0.301496 0.436187 0.702504 O\n0.381212 0.750000 0.950166 O\n0.618790 0.250000 0.049833 O\n0.801500 0.563816 0.797498 O\n0.698505 0.936187 0.297496 O\n0.801500 0.936185 0.797498 O\n0.198501 0.436185 0.202502 O\n0.881210 0.250000 0.549830 O\n0.698505 0.563814 0.297496 O\n0.118791 0.750000 0.450169 O\n",
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{
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{
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"updated_at": "2022-09-04T14:38:06.502303Z",
"structure_string": "H8 I2 N2 O8\n1.0\n5.567223 0.000001 -2.395290\n-1.030570 5.471005 -2.395289\n-0.072369 -0.087275 7.499216\nH I N O\n8 2 2 8\ndirect\n0.641620 0.059299 0.348961 H\n0.289661 0.141620 0.848961 H\n0.559299 0.207339 0.848961 H\n0.707340 0.789661 0.348961 H\n0.358379 0.940699 0.651038 H\n0.710338 0.858378 0.151038 H\n0.440700 0.792659 0.151038 H\n0.292659 0.210337 0.651039 H\n0.874999 0.624999 0.750000 I\n0.125000 0.374999 0.250000 I\n0.375000 0.124999 0.750000 N\n0.624999 0.874999 0.249999 N\n0.658285 0.337427 0.586954 O\n0.341714 0.662571 0.413045 O\n0.071331 0.250474 0.413045 O\n0.750474 0.841712 0.913045 O\n0.837427 0.428668 0.086954 O\n0.249525 0.158286 0.086954 O\n0.928668 0.749524 0.586954 O\n0.162572 0.571330 0.913045 O\n",
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"structure_string": "Sr4 Zr4 S12\n1.0\n6.742349 0.000000 0.000000\n0.000000 7.164048 0.000000\n0.000000 0.000000 9.801066\nSr Zr S\n4 4 12\ndirect\n0.474237 0.081755 0.250000 Sr\n0.974237 0.418245 0.750000 Sr\n0.025763 0.581756 0.250000 Sr\n0.525763 0.918245 0.750000 Sr\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.000000 Zr\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.500000 Zr\n0.689797 0.195334 0.550778 S\n0.189797 0.304667 0.449222 S\n0.810203 0.695334 0.550778 S\n0.310203 0.804667 0.449222 S\n0.689797 0.195334 0.949222 S\n0.900084 0.980290 0.250000 S\n0.599916 0.480290 0.250000 S\n0.099916 0.019710 0.750000 S\n0.310203 0.804667 0.050778 S\n0.400084 0.519710 0.750000 S\n0.189797 0.304667 0.050778 S\n0.810203 0.695334 0.949222 S\n",
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"structure_string": "Sr4 P4 Se12\n1.0\n0.000000 7.039021 0.004064\n7.819735 0.000000 0.000000\n0.000000 -6.731934 -9.827922\nSr P Se\n4 4 12\ndirect\n0.714307 0.891763 0.251613 Sr\n0.285694 0.391763 0.248387 Sr\n0.285694 0.108237 0.748387 Sr\n0.714307 0.608236 0.751613 Sr\n0.376412 0.892877 0.435879 P\n0.623588 0.392877 0.064121 P\n0.623588 0.107123 0.564121 P\n0.376413 0.607122 0.935879 P\n0.390070 0.305124 0.554311 Se\n0.609931 0.805123 0.945689 Se\n0.220049 0.797647 0.542344 Se\n0.779952 0.297647 0.957656 Se\n0.779952 0.202353 0.457656 Se\n0.871283 0.997333 0.767806 Se\n0.128718 0.002667 0.232194 Se\n0.871283 0.502667 0.267806 Se\n0.390069 0.194876 0.054312 Se\n0.128718 0.497333 0.732194 Se\n0.220048 0.702353 0.042344 Se\n0.609931 0.694876 0.445689 Se\n",
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