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{
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{
"id": "mp-1213468",
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"structure_string": "La30 Cu2 Ge18\n1.0\n7.865640 -13.623688 0.000000\n7.865640 13.623688 0.000000\n0.000000 0.000000 6.911574\nLa Cu Ge\n30 2 18\ndirect\n0.340802 0.018593 0.018003 La\n0.981407 0.322210 0.018003 La\n0.659198 0.981407 0.518003 La\n0.981407 0.659198 0.018003 La\n0.677790 0.659198 0.018003 La\n0.018593 0.677790 0.518003 La\n0.677790 0.018593 0.018003 La\n0.018593 0.340802 0.518003 La\n0.322210 0.340802 0.518003 La\n0.322210 0.981407 0.518003 La\n0.340802 0.322210 0.018003 La\n0.659198 0.677790 0.518003 La\n0.578695 0.421305 0.265875 La\n0.578695 0.157391 0.265875 La\n0.421305 0.578695 0.765875 La\n0.842609 0.421305 0.265875 La\n0.421305 0.842609 0.765875 La\n0.157391 0.578695 0.765875 La\n0.916876 0.083124 0.297838 La\n0.916876 0.833751 0.297838 La\n0.083124 0.916876 0.797838 La\n0.166249 0.083124 0.297838 La\n0.083124 0.166249 0.797838 La\n0.833751 0.916876 0.797838 La\n0.245471 0.754529 0.247563 La\n0.245471 0.490943 0.247563 La\n0.754529 0.245471 0.747563 La\n0.509057 0.754529 0.247563 La\n0.754529 0.509057 0.747563 La\n0.490943 0.245471 0.747563 La\n0.333333 0.666667 0.003696 Cu\n0.666667 0.333333 0.503696 Cu\n0.129536 0.870464 0.241417 Ge\n0.129536 0.259072 0.241417 Ge\n0.870464 0.129536 0.741417 Ge\n0.740928 0.870464 0.241417 Ge\n0.870464 0.740928 0.741417 Ge\n0.259072 0.129536 0.741417 Ge\n0.798181 0.201819 0.304054 Ge\n0.798181 0.596362 0.304054 Ge\n0.201819 0.798181 0.804054 Ge\n0.403638 0.201819 0.304054 Ge\n0.201819 0.403638 0.804054 Ge\n0.596362 0.798181 0.804054 Ge\n0.463221 0.536779 0.247330 Ge\n0.463221 0.926442 0.247330 Ge\n0.536779 0.463221 0.747330 Ge\n0.073558 0.536779 0.247330 Ge\n0.536779 0.073558 0.747330 Ge\n0.926442 0.463221 0.747330 Ge\n",
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{
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"structure_string": "Li4 Co2 H16 S4 O24\n1.0\n8.153349 0.000000 0.000000\n0.000000 5.448753 0.000000\n0.000000 1.802887 10.473371\nLi Co H S O\n4 2 16 4 24\ndirect\n0.563707 0.895599 0.865483 Li\n0.063707 0.104401 0.634517 Li\n0.936293 0.895599 0.365483 Li\n0.436293 0.104401 0.134517 Li\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.715435 0.235069 0.984410 H\n0.140339 0.777523 0.836589 H\n0.944196 0.776508 0.812950 H\n0.801629 0.327939 0.855754 H\n0.301629 0.672061 0.644246 H\n0.444196 0.223492 0.687050 H\n0.640339 0.222477 0.663411 H\n0.215435 0.764931 0.515590 H\n0.784565 0.235069 0.484410 H\n0.359661 0.777523 0.336589 H\n0.555804 0.776508 0.312950 H\n0.698371 0.327939 0.355754 H\n0.198371 0.672061 0.144246 H\n0.055804 0.223492 0.187050 H\n0.859661 0.222477 0.163411 H\n0.284565 0.764931 0.015590 H\n0.289889 0.371287 0.866995 S\n0.789889 0.628713 0.633005 S\n0.210111 0.371287 0.366995 S\n0.710111 0.628713 0.133005 S\n0.127878 0.328001 0.931325 O\n0.415235 0.196319 0.931017 O\n0.778995 0.173315 0.916873 O\n0.338574 0.636736 0.870042 O\n0.041334 0.885075 0.824902 O\n0.773366 0.657105 0.770924 O\n0.273366 0.342895 0.729076 O\n0.541334 0.114925 0.675098 O\n0.838574 0.363264 0.629958 O\n0.278995 0.826685 0.583127 O\n0.915235 0.803681 0.568983 O\n0.627878 0.671999 0.568675 O\n0.372122 0.328001 0.431325 O\n0.084765 0.196319 0.431017 O\n0.721005 0.173315 0.416873 O\n0.161426 0.636736 0.370042 O\n0.458666 0.885075 0.324902 O\n0.726634 0.657105 0.270924 O\n0.226634 0.342895 0.229076 O\n0.958666 0.114925 0.175098 O\n0.661426 0.363264 0.129958 O\n0.221005 0.826685 0.083127 O\n0.584765 0.803681 0.068983 O\n0.872122 0.671999 0.068675 O\n",
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{
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"structure_string": "Si20 O30\n1.0\n4.534758 10.037550 0.000000\n-4.534758 10.037550 0.000000\n0.000000 9.358833 10.924539\nSi O\n20 30\ndirect\n0.280001 0.731550 0.633949 Si\n0.268450 0.719999 0.866051 Si\n0.719999 0.268450 0.366051 Si\n0.731550 0.280001 0.133949 Si\n0.902064 0.766340 0.781136 Si\n0.233660 0.097936 0.718864 Si\n0.097936 0.233660 0.218864 Si\n0.766340 0.902064 0.281136 Si\n0.630529 0.165361 0.728257 Si\n0.834639 0.369471 0.771743 Si\n0.369471 0.834639 0.271743 Si\n0.165361 0.630529 0.228257 Si\n0.626254 0.153669 0.956087 Si\n0.846331 0.373746 0.543913 Si\n0.373746 0.846331 0.043913 Si\n0.153669 0.626254 0.456087 Si\n0.893972 0.750066 0.013399 Si\n0.249934 0.106028 0.486601 Si\n0.106028 0.249934 0.986601 Si\n0.750066 0.893972 0.513399 Si\n0.088380 0.758290 0.680896 O\n0.241710 0.911620 0.819104 O\n0.911620 0.241710 0.319104 O\n0.758290 0.088380 0.180896 O\n0.750299 0.961490 0.737158 O\n0.038510 0.249701 0.762842 O\n0.249701 0.038510 0.262842 O\n0.961490 0.750299 0.237158 O\n0.745666 0.263339 0.615193 O\n0.736661 0.254334 0.884807 O\n0.254334 0.736661 0.384807 O\n0.263339 0.745666 0.115193 O\n0.752384 0.947776 0.015007 O\n0.052224 0.247616 0.484993 O\n0.247616 0.052224 0.984993 O\n0.947776 0.752384 0.515007 O\n0.280058 0.914673 0.530123 O\n0.085327 0.719942 0.969877 O\n0.719942 0.085327 0.469877 O\n0.914673 0.280058 0.030123 O\n0.318370 0.681630 0.750000 O\n0.681630 0.318370 0.250000 O\n0.887305 0.717010 0.919006 O\n0.282990 0.112695 0.580994 O\n0.112695 0.282990 0.080994 O\n0.717010 0.887305 0.419006 O\n0.572352 0.179439 0.858011 O\n0.820561 0.427648 0.641989 O\n0.427648 0.820561 0.141989 O\n0.179439 0.572352 0.358011 O\n",
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{
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"structure_string": "Na1 Sr8 La1 Ti10 O30\n1.0\n5.551763 0.000000 0.000000\n0.000000 5.551763 0.000000\n0.000000 0.000000 19.658706\nNa Sr La Ti O\n1 8 1 10 30\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.199147 Sr\n0.500000 0.500000 0.200481 Sr\n0.500000 0.500000 0.400011 Sr\n0.500000 0.500000 0.599989 Sr\n0.500000 0.500000 0.799519 Sr\n0.000000 0.000000 0.399982 Sr\n0.000000 0.000000 0.600018 Sr\n0.000000 0.000000 0.800853 Sr\n0.500000 0.500000 0.000000 La\n0.000000 0.500000 0.500000 Ti\n0.000000 0.500000 0.299919 Ti\n0.000000 0.500000 0.900952 Ti\n0.000000 0.500000 0.700081 Ti\n0.000000 0.500000 0.099048 Ti\n0.500000 0.000000 0.299919 Ti\n0.500000 0.000000 0.500000 Ti\n0.500000 0.000000 0.900952 Ti\n0.500000 0.000000 0.099048 Ti\n0.500000 0.000000 0.700081 Ti\n0.000000 0.500000 0.399993 O\n0.000000 0.500000 0.800359 O\n0.249856 0.750144 0.299990 O\n0.250010 0.749990 0.500000 O\n0.249856 0.750144 0.700010 O\n0.256965 0.743035 0.900954 O\n0.256965 0.743035 0.099046 O\n0.500000 0.000000 0.399993 O\n0.249856 0.249856 0.299990 O\n0.500000 0.000000 0.199641 O\n0.250010 0.250010 0.500000 O\n0.249856 0.249856 0.700010 O\n0.256965 0.256965 0.099046 O\n0.500000 0.000000 0.800359 O\n0.500000 0.000000 0.000000 O\n0.256965 0.256965 0.900954 O\n0.500000 0.000000 0.600007 O\n0.750144 0.249856 0.299990 O\n0.749990 0.250010 0.500000 O\n0.750144 0.249856 0.700010 O\n0.743035 0.256965 0.900954 O\n0.743035 0.256965 0.099046 O\n0.750144 0.750144 0.299990 O\n0.749990 0.749990 0.500000 O\n0.750144 0.750144 0.700010 O\n0.743035 0.743035 0.900954 O\n0.000000 0.500000 0.199641 O\n0.000000 0.500000 0.600007 O\n0.743035 0.743035 0.099046 O\n0.000000 0.500000 0.000000 O\n",
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{
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