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{
"id": "jvasp-32822",
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"structure_string": "Zr6 I24\n1.0\n8.374431 0.000000 0.000000\n0.000000 8.171531 -1.924178\n0.000000 -0.020275 17.938382\nZr I\n6 24\ndirect\n0.876865 0.199180 0.583319 Zr\n0.123135 0.800819 0.416681 Zr\n0.598089 -0.000000 0.750000 Zr\n0.876865 0.800819 0.916681 Zr\n0.123135 0.199180 0.083319 Zr\n0.401910 -0.000000 0.250000 Zr\n0.643821 0.920623 0.585861 I\n0.356179 0.079376 0.414139 I\n0.874883 0.235732 0.747479 I\n0.121750 0.415128 0.589646 I\n0.877696 0.928090 0.080721 I\n0.356179 0.920623 0.085861 I\n0.611785 0.749960 0.244251 I\n0.627508 0.403727 0.577402 I\n0.643821 0.079376 0.914139 I\n0.627508 0.596272 0.922598 I\n0.878250 0.584871 0.410354 I\n0.878250 0.415128 0.089646 I\n0.874883 0.764267 0.752521 I\n0.372492 0.403727 0.077402 I\n0.388215 0.749960 0.744251 I\n0.122304 0.071909 0.919278 I\n0.125117 0.764267 0.252521 I\n0.125117 0.235733 0.247479 I\n0.372492 0.596273 0.422598 I\n0.122304 0.928090 0.580721 I\n0.611785 0.250040 0.255749 I\n0.121750 0.584871 0.910354 I\n0.388215 0.250039 0.755749 I\n0.877696 0.071909 0.419278 I\n",
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{
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"structure_string": "Ni6 P24\n1.0\n4.840958 0.000000 0.009935\n0.000000 14.156597 0.000000\n-1.448458 0.000000 6.926654\nNi P\n6 24\ndirect\n-0.000000 0.500000 0.500000 Ni\n0.144155 0.329725 0.878050 Ni\n0.000000 0.000000 0.000000 Ni\n0.144156 0.170275 0.378051 Ni\n0.855844 0.829726 0.621949 Ni\n0.855845 0.670275 0.121950 Ni\n0.504580 0.283613 0.452639 P\n0.640761 0.892664 0.864342 P\n0.747210 0.115424 0.791312 P\n0.495420 0.783613 0.047361 P\n0.789270 0.448643 0.746229 P\n0.640762 0.607336 0.364342 P\n0.623003 0.554585 0.927758 P\n0.747210 0.384576 0.291312 P\n0.789270 0.051357 0.246229 P\n0.623003 0.945415 0.427758 P\n0.376997 0.445415 0.072242 P\n0.252790 0.884576 0.208688 P\n0.359239 0.107336 0.135658 P\n0.925329 0.227647 0.622915 P\n0.504580 0.216387 0.952639 P\n0.376997 0.054585 0.572242 P\n0.359238 0.392664 0.635658 P\n0.210730 0.551357 0.253771 P\n0.252790 0.615425 0.708688 P\n0.210730 0.948643 0.753771 P\n0.074671 0.772353 0.377085 P\n0.074671 0.727647 0.877085 P\n0.495420 0.716387 0.547361 P\n0.925329 0.272353 0.122915 P\n",
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{
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"created_at": "2022-09-04T14:38:28.352306Z",
"updated_at": "2022-09-04T14:38:28.352331Z",
"structure_string": "Li3 V3 C6 O18\n1.0\n7.982813 0.046029 0.020881\n4.061968 6.872251 0.020881\n0.009157 0.005260 5.231600\nLi V C O\n3 3 6 18\ndirect\n0.665507 0.001102 0.499837 Li\n-0.001101 0.334493 0.500163 Li\n0.332189 0.667811 0.500000 Li\n0.326384 0.006939 0.000013 V\n0.993061 0.673616 -0.000013 V\n0.659707 0.340293 -0.000000 V\n0.334507 0.333093 0.760362 C\n0.333554 0.332175 0.239583 C\n0.000218 0.998838 0.239613 C\n0.666907 0.665493 0.239638 C\n0.667825 0.666446 0.760417 C\n0.001162 0.999782 0.760387 C\n0.231507 0.520716 0.233269 O\n0.522152 0.242269 0.240322 O\n0.247096 0.231174 0.240549 O\n0.435508 0.419555 0.759406 O\n0.102172 0.086237 0.759442 O\n0.898165 0.187375 0.233311 O\n0.145964 0.435158 0.766641 O\n0.855502 0.575590 0.240345 O\n0.564843 0.854036 0.233358 O\n0.757731 0.477849 0.759678 O\n0.768827 0.752904 0.759450 O\n0.580445 0.564492 0.240593 O\n0.913764 0.897828 0.240557 O\n0.424410 0.144498 0.759655 O\n0.479284 0.768493 0.766730 O\n0.188818 0.908928 0.240356 O\n0.091072 0.811183 0.759643 O\n0.812625 0.101835 0.766689 O\n",
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{
"id": "jvasp-23037",
"created_at": "2022-09-04T14:38:29.124133Z",
"updated_at": "2022-09-04T14:38:29.124156Z",
"structure_string": "Na12 Ge4 Se14\n1.0\n7.146832 -0.022423 -1.183403\n-1.275444 7.032138 -1.183403\n0.024758 0.029559 15.814210\nNa Ge Se\n12 4 14\ndirect\n0.500000 0.500000 0.000000 Na\n0.500000 0.500001 0.500000 Na\n0.737297 0.026056 0.924835 Na\n0.973945 0.262703 0.575165 Na\n0.262703 0.973945 0.075165 Na\n0.026056 0.737298 0.424835 Na\n0.419821 0.580181 0.750000 Na\n0.580180 0.419820 0.250000 Na\n0.495164 0.048808 0.640426 Na\n0.951193 0.504837 0.859574 Na\n0.504837 0.951193 0.359574 Na\n0.048808 0.495164 0.140426 Na\n0.075561 0.241379 0.362280 Ge\n0.758622 0.924440 0.137720 Ge\n0.241379 0.075561 0.862280 Ge\n0.924440 0.758622 0.637721 Ge\n0.958508 0.041493 0.750000 Se\n0.505819 0.249451 0.820463 Se\n0.750550 0.494182 0.679537 Se\n0.494181 0.750550 0.179537 Se\n0.249451 0.505819 0.320463 Se\n0.129154 0.264494 0.974931 Se\n0.735507 0.870847 0.525069 Se\n0.870846 0.735507 0.025069 Se\n0.264494 0.129154 0.474931 Se\n0.313108 0.786040 0.897395 Se\n0.213961 0.686893 0.602605 Se\n0.686893 0.213961 0.102605 Se\n0.786040 0.313108 0.397395 Se\n0.041493 0.958508 0.250000 Se\n",
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{
"id": "jvasp-88529",
"created_at": "2022-09-04T14:38:06.959814Z",
"updated_at": "2022-09-04T14:38:06.959844Z",
"structure_string": "Cr4 Hg4 H4 O18\n1.0\n5.148457 2.604528 -3.110551\n-5.148457 2.604528 3.110551\n-0.033731 0.000000 14.882498\nCr Hg H O\n4 4 4 18\ndirect\n0.758226 0.357150 0.599084 Cr\n0.357150 0.758226 0.900917 Cr\n0.241774 0.642850 0.400917 Cr\n0.642850 0.241774 0.099083 Cr\n0.968861 0.972572 0.624776 Hg\n0.972572 0.968861 0.875224 Hg\n0.031140 0.027429 0.375224 Hg\n0.027429 0.031139 0.124776 Hg\n0.591967 0.443190 0.290752 H\n0.443190 0.591967 0.209248 H\n0.408034 0.556810 0.709248 H\n0.556810 0.408034 0.790752 H\n0.729672 0.426678 0.986790 O\n0.426678 0.729672 0.513210 O\n0.270329 0.573323 0.013210 O\n0.573323 0.270329 0.486790 O\n0.274690 0.030876 0.074522 O\n0.030876 0.274690 0.425478 O\n0.725311 0.969125 0.925478 O\n0.969125 0.725310 0.574522 O\n0.017892 0.750228 0.336197 O\n0.457391 0.792197 0.329815 O\n0.207804 0.542610 0.829815 O\n0.542610 0.207804 0.670185 O\n0.750228 0.017892 0.163803 O\n0.599024 0.599024 0.750000 O\n0.249773 0.982108 0.836198 O\n0.982109 0.249773 0.663803 O\n0.792197 0.457391 0.170185 O\n0.400977 0.400976 0.250000 O\n",
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{
"id": "jvasp-29941",
"created_at": "2022-09-04T14:38:15.670180Z",
"updated_at": "2022-09-04T14:38:15.670200Z",
"structure_string": "Cu6 Bi2 Se4 I2 O16\n1.0\n6.446871 -0.000000 0.000000\n0.000000 7.334498 0.000000\n0.000000 0.000000 9.820771\nCu Bi Se I O\n6 2 4 2 16\ndirect\n0.250000 0.794665 0.250000 Cu\n0.750000 0.205335 0.750000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.250000 0.250571 0.250000 Bi\n0.750000 0.749429 0.750000 Bi\n0.250000 0.607112 0.943504 Se\n0.750000 0.392889 0.056496 Se\n0.750000 0.392889 0.443504 Se\n0.250000 0.607112 0.556495 Se\n0.250000 0.168002 0.750000 I\n0.750000 0.831998 0.250000 I\n0.539665 0.247272 0.415599 O\n0.250000 0.992258 0.113727 O\n0.960335 0.247272 0.084401 O\n0.750000 0.007743 0.613727 O\n0.750000 0.411898 0.617668 O\n0.460335 0.752728 0.584401 O\n0.250000 0.588103 0.382332 O\n0.039665 0.752728 0.915599 O\n0.539665 0.247272 0.084401 O\n0.750000 0.411898 0.882332 O\n0.750000 0.007743 0.886273 O\n0.250000 0.992258 0.386273 O\n0.960335 0.247272 0.415599 O\n0.039665 0.752728 0.584401 O\n0.460335 0.752728 0.915599 O\n0.250000 0.588103 0.117668 O\n",
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{
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"created_at": "2022-09-04T14:38:04.816631Z",
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"structure_string": "Li16 Si2 O12\n1.0\n2.705688 -4.686390 -0.000000\n2.705688 4.686390 -0.000000\n0.000000 0.000000 10.601726\nLi Si O\n16 2 12\ndirect\n0.000000 0.691420 0.730053 Li\n0.308580 0.000000 0.230053 Li\n0.691420 0.000000 0.730053 Li\n0.308581 0.308581 0.730053 Li\n0.604580 0.604580 0.870651 Li\n0.604580 0.000000 0.370651 Li\n0.000000 0.604580 0.370651 Li\n0.000000 0.395420 0.870651 Li\n0.000000 0.308580 0.230053 Li\n0.395421 0.395421 0.370651 Li\n0.666667 0.333333 0.588485 Li\n0.333333 0.666667 0.088484 Li\n0.666667 0.333333 0.088484 Li\n0.333333 0.666667 0.588485 Li\n0.691420 0.691420 0.230053 Li\n0.395420 0.000000 0.870651 Li\n0.000000 0.000000 0.500341 Si\n0.000000 0.000000 0.000340 Si\n0.290655 0.000000 0.047057 O\n0.290655 0.290655 0.547057 O\n0.709346 0.709346 0.047057 O\n0.333333 0.666667 0.280784 O\n0.666667 0.333333 0.280784 O\n0.709346 0.000000 0.547057 O\n0.000000 0.000000 0.341540 O\n0.000000 0.000000 0.841540 O\n0.000000 0.709346 0.547057 O\n0.000000 0.290655 0.047057 O\n0.333333 0.666667 0.780784 O\n0.666667 0.333333 0.780784 O\n",
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{
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"created_at": "2022-09-04T14:38:06.112461Z",
"updated_at": "2022-09-04T14:38:06.112482Z",
"structure_string": "K8 Au12 S10\n1.0\n4.807713 -8.327202 0.000000\n4.807713 8.327202 0.000000\n0.000000 0.000000 9.942731\nK Au S\n8 12 10\ndirect\n0.579773 0.933555 0.750000 K\n0.066445 0.646218 0.750000 K\n0.353782 0.420227 0.750000 K\n0.420227 0.353782 0.250000 K\n0.646218 0.066445 0.250000 K\n0.000000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.933555 0.579773 0.250000 K\n0.555633 0.719834 0.084395 Au\n0.719834 0.555633 0.915605 Au\n0.835798 0.280165 0.584395 Au\n0.444367 0.164201 0.584395 Au\n0.444367 0.164201 0.915605 Au\n0.835798 0.280165 0.915605 Au\n0.280165 0.835798 0.084395 Au\n0.719834 0.555633 0.584395 Au\n0.555633 0.719834 0.415605 Au\n0.280165 0.835798 0.415605 Au\n0.164201 0.444367 0.415605 Au\n0.164201 0.444367 0.084395 Au\n0.971600 0.223788 0.750000 S\n0.252188 0.028400 0.750000 S\n0.333333 0.666667 0.550517 S\n0.333333 0.666667 0.949483 S\n0.666667 0.333333 0.050517 S\n0.666667 0.333333 0.449483 S\n0.028400 0.252188 0.250000 S\n0.223788 0.971600 0.250000 S\n0.747811 0.776211 0.250000 S\n0.776211 0.747811 0.750000 S\n",
"nsites": 30,
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{
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"created_at": "2022-09-04T14:38:06.948513Z",
"updated_at": "2022-09-04T14:38:06.948538Z",
"structure_string": "Os2 Se4 Cl24\n1.0\n8.036220 0.023061 -2.712342\n-1.716603 7.850773 -2.712342\n-0.019690 -0.024533 12.049259\nOs Se Cl\n2 4 24\ndirect\n0.665006 0.665006 0.330011 Os\n0.415006 0.915006 0.830011 Os\n0.477798 0.036244 0.497417 Se\n0.786244 0.727797 0.997417 Se\n0.211173 0.269619 0.997417 Se\n0.019619 0.461173 0.497417 Se\n0.039725 0.861221 0.151482 Cl\n0.626552 0.788868 0.177843 Cl\n0.937551 0.627681 0.329960 Cl\n0.212820 0.028779 0.489653 Cl\n0.377681 0.187551 0.829960 Cl\n0.301724 0.951841 0.988672 Cl\n0.611221 0.289725 0.651482 Cl\n0.138976 0.801291 0.677843 Cl\n0.964962 0.136614 0.837189 Cl\n0.786830 0.936947 0.488672 Cl\n0.686947 0.036830 0.988672 Cl\n0.886614 0.214962 0.337189 Cl\n0.276833 0.460875 0.489653 Cl\n0.210876 0.526833 0.989653 Cl\n0.452279 0.642409 0.829961 Cl\n0.111757 0.290261 0.151482 Cl\n0.551291 0.388975 0.177843 Cl\n0.701842 0.551724 0.488672 Cl\n0.450574 0.122227 0.337189 Cl\n0.538868 0.876552 0.677843 Cl\n0.778779 0.462820 0.989653 Cl\n0.872227 0.700574 0.837189 Cl\n0.392409 0.702279 0.329960 Cl\n0.040261 0.361757 0.651482 Cl\n",
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"formula_full": "Os2 Se4 Cl24",
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{
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{
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"created_at": "2022-09-04T14:36:54.662748Z",
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}