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{
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"structure_string": "Ca8 Ru2 N8\n1.0\n5.920323 -0.015455 1.230553\n1.700225 5.330127 2.186298\n0.005258 0.036112 8.657060\nCa Ru N\n8 2 8\ndirect\n0.783642 0.582240 0.153044 Ca\n0.216357 0.417759 0.846956 Ca\n0.725843 0.210080 0.981126 Ca\n0.274156 0.789919 0.018875 Ca\n0.733249 0.487862 0.569234 Ca\n0.266750 0.512137 0.430766 Ca\n0.209041 0.952735 0.621010 Ca\n0.790959 0.047264 0.378990 Ca\n0.299094 0.141276 0.242915 Ru\n0.700906 0.858724 0.757085 Ru\n0.981821 0.683001 0.617618 N\n0.018178 0.316998 0.382382 N\n0.946274 0.844955 0.888829 N\n0.053725 0.155044 0.111172 N\n0.520226 0.621053 0.797019 N\n0.479773 0.378947 0.202981 N\n0.508025 0.830843 0.336234 N\n0.491974 0.169156 0.663766 N\n",
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{
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"structure_string": "Ca9 Fe2 N8\n1.0\n8.894027 0.013172 3.264701\n1.355060 4.732055 0.000000\n-0.012030 0.003445 7.627374\nCa Fe N\n9 2 8\ndirect\n0.000000 0.499999 0.500000 Ca\n0.074431 0.962782 0.764999 Ca\n0.925570 0.037215 0.235000 Ca\n0.654012 0.672993 0.449121 Ca\n0.345989 0.327005 0.550878 Ca\n0.822526 0.588736 0.982794 Ca\n0.177475 0.411262 0.017205 Ca\n0.611811 0.194093 0.812565 Ca\n0.388190 0.805904 0.187434 Ca\n0.614178 0.192911 0.200934 Fe\n0.385823 0.807087 0.799065 Fe\n0.216853 0.891573 0.000699 N\n0.783148 0.108426 -0.000699 N\n0.362847 0.818575 0.583295 N\n0.637153 0.181423 0.416705 N\n0.572172 0.713913 0.812997 N\n0.427829 0.286084 0.187002 N\n0.074922 0.462538 0.755355 N\n0.925079 0.537460 0.244644 N\n",
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"structure_string": "In4 Ge4 N8\n1.0\n5.987561 -0.000000 0.000000\n0.000000 7.185189 0.000000\n-0.000000 0.000000 5.220270\nIn Ge N\n4 4 8\ndirect\n0.597129 0.886243 0.007798 In\n0.402871 0.113757 0.507798 In\n0.902871 0.386243 0.507798 In\n0.097129 0.613757 0.007798 In\n0.526929 0.370890 0.002363 Ge\n0.473071 0.629110 0.502363 Ge\n0.973071 0.870890 0.502363 Ge\n0.026929 0.129110 0.002363 Ge\n0.529363 0.389495 0.359786 N\n0.470637 0.610505 0.859786 N\n0.970637 0.889495 0.859786 N\n0.029363 0.110505 0.359786 N\n0.721640 0.757946 0.371053 N\n0.278360 0.242054 0.871053 N\n0.778360 0.257946 0.871053 N\n0.221640 0.742054 0.371053 N\n",
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{
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"structure_string": "Na2 V2 O4 F4\n1.0\n0.000000 6.433757 -0.019312\n3.555022 0.000000 0.000000\n0.000000 -2.441455 -6.770104\nNa V O F\n2 2 4 4\ndirect\n0.630396 0.275562 0.214043 Na\n0.369604 0.775561 0.785956 Na\n0.138882 0.736394 0.216485 V\n0.861117 0.236394 0.783514 V\n0.291153 0.731750 0.446456 O\n0.708846 0.231750 0.553544 O\n0.094975 0.262195 0.140864 O\n0.905024 0.762195 0.859136 O\n0.621912 0.276510 0.887835 F\n0.378088 0.776509 0.112164 F\n0.862095 0.776689 0.247783 F\n0.137905 0.276689 0.752216 F\n",
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"updated_at": "2022-09-04T14:38:49.871494Z",
"structure_string": "Mg2 Ga2 Mo2 S8\n1.0\n6.396804 0.000128 3.668107\n2.010174 5.938516 3.906019\n0.017665 0.303875 7.380215\nMg Ga Mo S\n2 2 2 8\ndirect\n0.861795 0.888204 0.888185 Mg\n0.109670 0.140287 0.140294 Mg\n0.504052 0.486924 0.486924 Ga\n0.022137 0.486917 0.486917 Ga\n0.497546 0.551992 -0.047083 Mo\n0.497548 -0.047087 0.551998 Mo\n0.780852 0.729821 0.729841 S\n0.273916 0.222548 0.729648 S\n0.273883 0.729651 0.222571 S\n0.707834 0.261726 0.261742 S\n0.721310 0.298212 0.759198 S\n0.259483 0.729861 0.729829 S\n0.268680 0.261733 0.261722 S\n0.721291 0.759219 0.298213 S\n",
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"structure_string": "Dy2 Mg2 V2 S8\n1.0\n6.612071 0.003176 3.884256\n2.208719 6.118776 3.804902\n0.019974 -0.000898 7.536276\nDy Mg V S\n2 2 2 8\ndirect\n0.500000 0.500001 0.499999 Dy\n-0.000000 0.499998 0.500002 Dy\n0.877977 0.872027 0.872019 Mg\n0.122023 0.127972 0.127982 Mg\n0.499999 0.500001 -0.000000 V\n0.500001 1.000001 0.500000 V\n0.712394 0.755149 0.755146 S\n0.266917 0.233333 0.732815 S\n0.266929 0.732812 0.233352 S\n0.722686 0.244865 0.244838 S\n0.733068 0.267188 0.766649 S\n0.277313 0.755137 0.755161 S\n0.287606 0.244850 0.244856 S\n0.733085 0.766667 0.267186 S\n",
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"structure_string": "Li4 Mn2 Cu2 O8\n1.0\n3.697215 0.000203 1.641685\n-1.422322 7.299218 -1.781326\n-0.043026 -0.069121 5.080903\nLi Mn Cu O\n4 2 2 8\ndirect\n0.250222 0.875095 0.374653 Li\n0.250217 0.375128 0.874695 Li\n0.499991 0.749991 0.750006 Li\n0.499739 0.249875 0.250391 Li\n0.000093 0.500046 0.499861 Mn\n0.000078 0.000040 0.999882 Mn\n0.749950 0.624958 0.125053 Cu\n0.749908 0.124970 0.625143 Cu\n0.992152 0.246076 0.261765 O\n0.992215 0.746109 0.761673 O\n0.507690 0.003852 0.988470 O\n0.507710 0.503850 0.488430 O\n0.774315 0.887140 0.338510 O\n0.774332 0.387182 0.838518 O\n0.225677 0.112851 0.661489 O\n0.225694 0.612835 0.161446 O\n",
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"structure_string": "Ti4 V4 O16\n1.0\n3.777789 0.007622 -0.000556\n-0.038546 18.907588 0.003602\n0.000564 -0.000728 3.776186\nTi V O\n4 4 16\ndirect\n-0.000062 0.374967 0.499999 Ti\n0.500001 0.624965 0.000003 Ti\n0.000057 0.874968 0.499999 Ti\n0.500106 0.124967 -0.000001 Ti\n0.999955 0.500021 -0.000003 V\n0.500003 0.750020 0.500002 V\n0.000046 0.000023 0.999997 V\n0.499853 0.250020 0.499997 V\n0.499926 0.353139 0.500002 O\n0.000080 0.103138 0.000001 O\n-0.000075 0.396860 -0.000001 O\n0.500064 0.146863 0.500000 O\n0.000052 0.896862 -0.000003 O\n0.500020 0.646862 0.500002 O\n0.500072 0.018325 0.999998 O\n0.499895 0.231689 1.000000 O\n0.499967 0.518323 -0.000000 O\n-0.000092 0.268324 0.500001 O\n-0.000000 0.603137 0.000003 O\n0.000086 0.981689 0.499998 O\n0.500004 0.731689 0.000001 O\n-0.000042 0.481687 0.500000 O\n0.000013 0.768325 0.500001 O\n0.500049 0.853137 0.499999 O\n",
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]
}