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{
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"structure_string": "Sm4 Ta4 O18\n1.0\n3.867809 -0.000000 0.000000\n-0.000000 6.158343 2.531665\n0.000000 -0.048455 15.331171\nSm Ta O\n4 4 18\ndirect\n0.999947 0.690983 0.304651 Sm\n0.000053 0.309017 0.695349 Sm\n0.499947 0.309017 0.195350 Sm\n0.500053 0.690983 0.804651 Sm\n0.999960 0.692787 0.040615 Ta\n0.000040 0.307214 0.959385 Ta\n0.499960 0.307213 0.459385 Ta\n0.500040 0.692787 0.540615 Ta\n0.000037 0.419975 0.821230 O\n0.999963 0.580026 0.178770 O\n0.000020 0.650974 0.550202 O\n0.999980 0.349027 0.449798 O\n0.500021 0.349027 0.949798 O\n0.499980 0.650973 0.050202 O\n0.500000 0.000000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.499891 0.935654 0.218501 O\n0.999891 0.064346 0.281500 O\n0.500109 0.064346 0.781500 O\n0.499963 0.419974 0.321230 O\n0.500014 0.338184 0.582982 O\n0.499986 0.661817 0.417019 O\n0.000014 0.661817 0.917019 O\n0.999986 0.338183 0.082982 O\n0.000109 0.935654 0.718501 O\n0.500037 0.580026 0.678770 O\n",
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{
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{
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"structure_string": "H32 C20\n1.0\n6.482316 0.000000 0.000000\n-0.000000 6.482316 -0.000000\n-0.000000 0.000000 8.700342\nH C\n32 20\ndirect\n0.671036 0.946569 0.675520 H\n0.363060 0.860997 0.926023 H\n0.636941 0.139003 0.926023 H\n0.860997 0.636941 0.073977 H\n0.139003 0.363060 0.073977 H\n0.863060 0.639004 0.573977 H\n0.136941 0.360997 0.573977 H\n0.639004 0.136941 0.426023 H\n0.202997 0.751736 0.069726 H\n0.797004 0.248265 0.069726 H\n0.751736 0.797004 0.930274 H\n0.248265 0.202997 0.930274 H\n0.702997 0.748265 0.430274 H\n0.297004 0.251736 0.430274 H\n0.251736 0.702997 0.569726 H\n0.748265 0.297004 0.569726 H\n0.360997 0.863060 0.426023 H\n0.634841 0.478021 0.279651 H\n0.365160 0.521979 0.279651 H\n0.328965 0.053432 0.675520 H\n0.946569 0.328965 0.324480 H\n0.053432 0.671036 0.324480 H\n0.828965 0.446569 0.824480 H\n0.446569 0.171036 0.175520 H\n0.171036 0.553432 0.824480 H\n0.978022 0.134840 0.779651 H\n0.021979 0.865160 0.779651 H\n0.134840 0.021979 0.220348 H\n0.865160 0.978022 0.220348 H\n0.478021 0.365160 0.720348 H\n0.521979 0.634841 0.720348 H\n0.553432 0.828965 0.175520 H\n0.000000 0.000000 0.295652 C\n0.159030 0.223514 0.501037 C\n0.000000 0.000000 0.704347 C\n0.340971 0.723515 0.998963 C\n0.659030 0.276486 0.998963 C\n0.723515 0.659030 0.001037 C\n0.276486 0.340971 0.001037 C\n0.840971 0.776486 0.501037 C\n0.223514 0.840971 0.498963 C\n0.968547 0.191657 0.397610 C\n0.531453 0.691657 0.102389 C\n0.468547 0.308344 0.102389 C\n0.691657 0.468547 0.897610 C\n0.308344 0.531453 0.897610 C\n0.031453 0.808344 0.397610 C\n0.191657 0.031453 0.602389 C\n0.808344 0.968547 0.602389 C\n0.500000 0.500000 0.795652 C\n0.776486 0.159030 0.498963 C\n0.500000 0.500000 0.204348 C\n",
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{
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"updated_at": "2022-09-04T14:38:09.820604Z",
"structure_string": "K2 Tb4 Cu2 S8\n1.0\n3.960971 -0.000000 0.000000\n-1.980485 6.722748 -0.000000\n0.000000 0.000000 13.728220\nTb K Cu S\n4 2 2 8\ndirect\n0.365803 0.731604 0.936631 Tb\n0.634199 0.268397 0.436631 Tb\n0.365803 0.731604 0.563369 Tb\n0.634199 0.268397 0.063369 Tb\n0.889899 0.779798 0.250000 K\n0.110102 0.220202 0.750000 K\n0.838283 0.676565 0.750000 Cu\n0.161718 0.323435 0.250000 Cu\n0.000000 0.000000 0.500000 S\n0.000000 0.000000 0.000000 S\n0.264532 0.529063 0.111861 S\n0.735470 0.470937 0.888139 S\n0.433687 0.867371 0.750000 S\n0.264532 0.529063 0.388139 S\n0.566315 0.132629 0.250000 S\n0.735470 0.470937 0.611861 S\n",
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{
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"created_at": "2022-09-04T14:38:40.325978Z",
"updated_at": "2022-09-04T14:38:40.325988Z",
"structure_string": "K2 Rb1 Gd1 Cl6\n1.0\n6.950341 0.000000 4.012781\n2.316780 6.552845 4.012781\n0.000000 0.000000 8.025563\nK Rb Gd Cl\n2 1 1 6\ndirect\n0.750000 0.750001 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Gd\n0.766964 0.233036 0.233036 Cl\n0.233036 0.233036 0.766964 Cl\n0.233036 0.766965 0.766964 Cl\n0.233036 0.766965 0.233035 Cl\n0.766964 0.233036 0.766964 Cl\n0.766964 0.766965 0.233035 Cl\n",
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{
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"created_at": "2022-09-04T14:36:47.526725Z",
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"structure_string": "Rb3 Gd1 Cl6\n1.0\n6.950332 -0.000000 4.012776\n2.316777 6.552836 4.012776\n-0.000000 -0.000000 8.025552\nRb Gd Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Gd\n0.766865 0.233135 0.233135 Cl\n0.233135 0.233135 0.766865 Cl\n0.233135 0.766866 0.766865 Cl\n0.233135 0.766866 0.233135 Cl\n0.766865 0.233135 0.766866 Cl\n0.766865 0.766866 0.233135 Cl\n",
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{
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"structure_string": "Ba4 Zn2 Si4 O14\n1.0\n6.703542 0.004534 -1.544422\n-2.014428 6.393713 -1.544422\n0.004138 0.005645 8.523321\nBa Zn Si O\n4 2 4 14\ndirect\n0.816663 0.731349 0.026330 Ba\n0.731349 0.816663 0.526330 Ba\n0.268650 0.183336 0.473670 Ba\n0.183336 0.268651 0.973670 Ba\n0.741000 0.258999 0.250000 Zn\n0.258999 0.741000 0.750000 Zn\n0.167862 0.604023 0.362611 Si\n0.395976 0.832137 0.137390 Si\n0.832137 0.395976 0.637390 Si\n0.604024 0.167863 0.862611 Si\n0.759210 0.023236 0.867049 O\n0.618452 0.325315 0.044487 O\n0.976764 0.240790 0.632951 O\n0.674685 0.381547 0.455514 O\n0.041849 0.355314 0.263912 O\n0.665273 0.334727 0.750000 O\n0.355315 0.041850 0.763912 O\n0.334727 0.665272 0.250000 O\n0.240790 0.976764 0.132951 O\n0.023236 0.759209 0.367049 O\n0.958150 0.644685 0.736088 O\n0.381548 0.674685 0.955514 O\n0.644685 0.958150 0.236088 O\n0.325315 0.618452 0.544487 O\n",
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"structure_string": "Hf10 Cu2 Sb6\n1.0\n8.564108 -0.000000 0.000000\n-4.282054 7.416736 0.000000\n-0.000000 0.000000 5.754007\nHf Cu Sb\n10 2 6\ndirect\n0.666667 0.333334 -0.000000 Hf\n0.000001 0.736002 0.250000 Hf\n0.263998 0.263998 0.250000 Hf\n0.000000 0.263998 0.750000 Hf\n0.263998 0.000000 0.750000 Hf\n0.736002 0.000000 0.250000 Hf\n0.666667 0.333334 0.500000 Hf\n0.333334 0.666667 0.500000 Hf\n0.333334 0.666667 -0.000000 Hf\n0.736003 0.736002 0.750000 Hf\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.385319 0.000000 0.250000 Sb\n0.385319 0.385319 0.750000 Sb\n0.614681 0.000000 0.750000 Sb\n0.000000 0.614682 0.750000 Sb\n0.614682 0.614682 0.250000 Sb\n0.000000 0.385319 0.250000 Sb\n",
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{
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"structure_string": "Te6 Mo2 W2 Se2\n1.0\n3.509263 0.000000 -0.000000\n-1.754633 3.037974 0.001869\n-0.000000 0.023761 34.269035\nTe Mo W Se\n6 2 2 2\ndirect\n0.333166 0.666333 0.735888 Te\n0.667862 0.335724 0.022321 Te\n0.666077 0.332156 0.417816 Te\n0.666560 0.333120 0.129680 Te\n0.665421 0.330842 0.524786 Te\n0.334493 0.668987 0.628456 Te\n0.332577 0.665152 0.471287 Mo\n0.666677 0.333356 0.273435 Mo\n0.333559 0.667116 0.075959 W\n0.666887 0.333774 0.682237 W\n0.332796 0.665593 0.320597 Se\n0.333920 0.667839 0.226287 Se\n",
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{
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"created_at": "2022-09-04T14:38:28.274411Z",
"updated_at": "2022-09-04T14:38:28.274428Z",
"structure_string": "Ca4 Mg4 Ge4 O16\n1.0\n5.047885 0.000000 0.000000\n-0.000000 6.412992 0.000000\n0.000000 0.000000 11.283321\nCa Mg Ge O\n4 4 4 16\ndirect\n0.511373 0.250000 0.774549 Ca\n0.988629 0.250000 0.274549 Ca\n0.488628 0.750000 0.225450 Ca\n0.011372 0.750000 0.725450 Ca\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.923022 0.750000 0.419407 Ge\n0.576980 0.750000 0.919407 Ge\n0.423021 0.250000 0.080593 Ge\n0.076979 0.250000 0.580593 Ge\n0.737153 0.969764 0.851903 O\n0.772190 0.250000 0.079463 O\n0.272189 0.750000 0.420537 O\n0.737153 0.530235 0.851903 O\n0.262848 0.030235 0.148097 O\n0.742627 0.750000 0.558331 O\n0.227811 0.750000 0.920537 O\n0.762848 0.530235 0.351903 O\n0.727812 0.250000 0.579463 O\n0.237153 0.469764 0.648097 O\n0.237153 0.030235 0.648097 O\n0.757374 0.750000 0.058331 O\n0.242627 0.250000 0.941669 O\n0.262848 0.469764 0.148097 O\n0.762848 0.969764 0.351903 O\n0.257374 0.250000 0.441669 O\n",
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{
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"created_at": "2022-09-04T14:35:55.945358Z",
"updated_at": "2022-09-04T14:35:55.945368Z",
"structure_string": "K2 Rb1 Ga1 Br6\n1.0\n6.948354 -0.000000 4.011634\n2.316118 6.550971 4.011634\n-0.000000 -0.000000 8.023268\nK Rb Ga Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Ga\n0.775992 0.224008 0.224008 Br\n0.224008 0.224008 0.775992 Br\n0.224008 0.775992 0.775992 Br\n0.224008 0.775992 0.224007 Br\n0.775992 0.224008 0.775992 Br\n0.775992 0.775992 0.224007 Br\n",
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]
}