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{
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{
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{
"id": "mp-1245566",
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"structure_string": "Mn2 Al2 N4\n1.0\n5.455873 0.389903 -0.525757\n-2.129645 3.952308 0.000000\n-6.652456 -3.584583 4.833565\nMn Al N\n2 2 4\ndirect\n0.000000 0.500000 0.750000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.250000 Al\n0.000000 0.000000 0.000000 Al\n0.500000 0.014519 0.125000 N\n0.500000 0.985481 0.625000 N\n0.470963 0.485481 0.360481 N\n0.529037 0.514519 0.889519 N\n",
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{
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"structure_string": "Tm2 Ga2\n1.0\n2.154338 -5.352078 0.000000\n2.154338 5.352078 0.000000\n0.000000 0.000000 3.999755\nTm Ga\n2 2\ndirect\n0.860936 0.139064 0.750000 Tm\n0.139064 0.860936 0.250000 Tm\n0.578606 0.421394 0.750000 Ga\n0.421394 0.578606 0.250000 Ga\n",
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{
"id": "mp-38200",
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"structure_string": "Li8 P4 S12\n1.0\n6.163653 0.000000 0.000000\n0.000000 6.439855 0.000000\n0.000000 0.000000 10.665745\nLi P S\n8 4 12\ndirect\n0.743799 0.499737 0.083256 Li\n0.756201 0.999737 0.083256 Li\n0.243799 0.000263 0.916744 Li\n0.256201 0.500263 0.583256 Li\n0.256201 0.500263 0.916744 Li\n0.243799 0.000263 0.583256 Li\n0.756201 0.999737 0.416744 Li\n0.743799 0.499737 0.416744 Li\n0.749940 0.296140 0.750000 P\n0.250060 0.703860 0.250000 P\n0.249940 0.203860 0.250000 P\n0.750060 0.796140 0.750000 P\n0.914008 0.750213 0.914092 S\n0.585992 0.250213 0.914092 S\n0.585992 0.250213 0.585908 S\n0.421740 0.754974 0.750000 S\n0.414008 0.749787 0.085908 S\n0.414008 0.749787 0.414092 S\n0.085992 0.249787 0.414092 S\n0.085992 0.249787 0.085908 S\n0.078260 0.254974 0.750000 S\n0.921740 0.745026 0.250000 S\n0.914008 0.750213 0.585908 S\n0.578260 0.245026 0.250000 S\n",
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{
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"created_at": "2022-09-04T14:48:09.308791Z",
"structure_string": "Li2 Ti4 O8\n1.0\n5.995036 0.000000 0.000000\n0.000000 5.144412 0.000000\n0.000000 0.063727 5.301115\nLi Ti O\n2 4 8\ndirect\n0.750000 0.322877 0.562791 Li\n0.250000 0.677123 0.437209 Li\n0.500000 0.500000 0.000000 Ti\n0.000000 0.500000 0.000000 Ti\n0.750000 0.974945 0.014896 Ti\n0.250000 0.025055 0.985104 Ti\n0.489167 0.832660 0.197856 O\n0.750000 0.657319 0.795870 O\n0.010833 0.832660 0.197856 O\n0.250000 0.666183 0.801837 O\n0.510833 0.167340 0.802144 O\n0.750000 0.333817 0.198163 O\n0.989167 0.167340 0.802144 O\n0.250000 0.342681 0.204130 O\n",
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{
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{
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"structure_string": "Mg2 H48 C12 N24 Cl4 O24\n1.0\n7.437713 0.000000 0.000000\n0.000000 10.569589 0.000000\n0.000000 7.651547 14.521545\nMg H C N Cl O\n2 48 12 24 4 24\ndirect\n0.500000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.814331 0.670417 0.744160 H\n0.685669 0.670417 0.244160 H\n0.185669 0.329583 0.255840 H\n0.314331 0.329583 0.755840 H\n0.617290 0.743113 0.682263 H\n0.882710 0.743113 0.182263 H\n0.382710 0.256887 0.317737 H\n0.117290 0.256887 0.817737 H\n0.093526 0.774727 0.683635 H\n0.406474 0.774727 0.183635 H\n0.906474 0.225273 0.316365 H\n0.593526 0.225273 0.816365 H\n0.100648 0.926150 0.574384 H\n0.399352 0.926150 0.074384 H\n0.899352 0.073850 0.425616 H\n0.600648 0.073850 0.925616 H\n0.120664 0.692856 0.460827 H\n0.379336 0.692856 0.960827 H\n0.879336 0.307144 0.539173 H\n0.620664 0.307144 0.039173 H\n0.173106 0.861206 0.452581 H\n0.326894 0.861206 0.952581 H\n0.826894 0.138794 0.547419 H\n0.673106 0.138794 0.047419 H\n0.294673 0.501191 0.553371 H\n0.205327 0.501191 0.053371 H\n0.705327 0.498809 0.446629 H\n0.794673 0.498809 0.946629 H\n0.478248 0.517261 0.615619 H\n0.021752 0.517261 0.115619 H\n0.521752 0.482739 0.384381 H\n0.978248 0.482739 0.884381 H\n0.176977 0.226629 0.636839 H\n0.323023 0.226629 0.136839 H\n0.823023 0.773371 0.363161 H\n0.676977 0.773371 0.863161 H\n0.295421 0.237244 0.542706 H\n0.204579 0.237244 0.042706 H\n0.704579 0.762756 0.457294 H\n0.795421 0.762756 0.957294 H\n0.195499 0.017421 0.779702 H\n0.304501 0.017421 0.279702 H\n0.804501 0.982579 0.220298 H\n0.695499 0.982579 0.720298 H\n0.326603 0.873696 0.787477 H\n0.173397 0.873696 0.287477 H\n0.673397 0.126304 0.212523 H\n0.826603 0.126304 0.712523 H\n0.848726 0.849027 0.618531 C\n0.651274 0.849027 0.118531 C\n0.151274 0.150973 0.381469 C\n0.348726 0.150973 0.881469 C\n0.337320 0.701793 0.537762 C\n0.162680 0.701793 0.037762 C\n0.662680 0.298207 0.462238 C\n0.837320 0.298207 0.962238 C\n0.332167 0.048474 0.661405 C\n0.167833 0.048474 0.161405 C\n0.667833 0.951526 0.338595 C\n0.832167 0.951526 0.838595 C\n0.753005 0.746372 0.687513 N\n0.746995 0.746372 0.187513 N\n0.246995 0.253628 0.312487 N\n0.253005 0.253628 0.812487 N\n0.027766 0.851785 0.627999 N\n0.472234 0.851785 0.127999 N\n0.972234 0.148215 0.372001 N\n0.527766 0.148215 0.872001 N\n0.202461 0.755875 0.476001 N\n0.297539 0.755875 0.976001 N\n0.797539 0.244125 0.523999 N\n0.702461 0.244125 0.023999 N\n0.362550 0.558154 0.579032 N\n0.137450 0.558154 0.079032 N\n0.637450 0.441846 0.420968 N\n0.862550 0.441846 0.920968 N\n0.263759 0.181122 0.610491 N\n0.236241 0.181122 0.110491 N\n0.736241 0.818878 0.389509 N\n0.763759 0.818878 0.889509 N\n0.285129 0.977270 0.751262 N\n0.214871 0.977270 0.251262 N\n0.714871 0.022730 0.248738 N\n0.785129 0.022730 0.748738 N\n0.143634 0.545625 0.343450 Cl\n0.356366 0.545625 0.843450 Cl\n0.856366 0.454375 0.656550 Cl\n0.643634 0.454375 0.156550 Cl\n0.036705 0.674125 0.333014 O\n0.463295 0.674125 0.833014 O\n0.963295 0.325875 0.666986 O\n0.536705 0.325875 0.166986 O\n0.175190 0.454267 0.444514 O\n0.324810 0.454267 0.944514 O\n0.824810 0.545733 0.555486 O\n0.675190 0.545733 0.055486 O\n0.324271 0.599859 0.298090 O\n0.175729 0.599859 0.798090 O\n0.675729 0.400141 0.701910 O\n0.824271 0.400141 0.201910 O\n0.770382 0.944829 0.546536 O\n0.729618 0.944829 0.046536 O\n0.229618 0.055171 0.453464 O\n0.270382 0.055171 0.953464 O\n0.436936 0.781366 0.557493 O\n0.063064 0.781366 0.057493 O\n0.563064 0.218634 0.442507 O\n0.936936 0.218634 0.942507 O\n0.438371 0.990978 0.627665 O\n0.061629 0.990978 0.127665 O\n0.561629 0.009022 0.372335 O\n0.938371 0.009022 0.872335 O\n",
"nsites": 114,
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{
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{
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{
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