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0.000000 Cl\n0.306177 0.589250 0.017802 O\n0.410750 0.428551 0.716926 O\n0.003079 0.309702 0.610828 O\n0.690297 0.301127 0.693376 O\n0.607751 0.996921 0.306623 O\n0.282835 0.009919 0.566548 O\n0.443371 0.716287 0.433451 O\n0.283713 0.717164 0.727083 O\n0.990081 0.556630 0.272916 O\n0.711625 0.693823 0.283073 O\n0.571448 0.288375 0.982197 O\n0.698873 0.392249 0.389171 O\n","nsites":23,"nelements":6,"elements":["Na","Be","Al","Si","Cl","O"],"chemical_system":"Al-Be-Cl-Na-O-Si","density":2.3108319385050913,"density_atomic":0.06842928995634934,"volume":336.1133809027037,"volume_molar":8.800530830937294,"formula_full":"Na4 Be1 Al1 Si4 Cl1 O12","formula_reduced":"Na4BeAlSi4ClO12","formula_anonymous":"ABCD4E4F12","energy_above_hull":2.2185215377173915,"spacegroup":82},{"id":"jvasp-96803","created_at":"2022-09-04T14:35:56.817154Z","updated_at":"2022-09-04T14:35:56.817186Z","structure_string":"K1 Ca12 Si4 S2 O26 F1\n1.0\n6.965786 -0.007571 12.523336\n3.242685 6.165001 12.523336\n-0.012552 -0.007571 14.330247\nK Ca Si S O F\n1 12 4 2 26 1\ndirect\n0.000000 0.000000 0.000000 K\n0.555474 0.083069 0.555473 Ca\n0.688102 0.225025 0.688102 Ca\n0.555473 0.555473 0.083069 Ca\n0.225024 0.688102 0.688103 Ca\n0.774976 0.311898 0.311898 Ca\n0.916931 0.444527 0.444527 Ca\n0.083069 0.555473 0.555474 Ca\n0.444527 0.444527 0.916931 Ca\n0.311898 0.774975 0.311899 Ca\n0.688102 0.688102 0.225025 Ca\n0.311898 0.311898 0.774976 Ca\n0.444527 0.916931 0.444528 Ca\n0.204047 0.204047 0.204047 Si\n0.917615 0.917615 0.917615 Si\n0.795953 0.795953 0.795953 Si\n0.082385 0.082385 0.082385 Si\n0.676432 0.676432 0.676432 S\n0.323568 0.323568 0.323568 S\n0.431747 0.431747 0.431748 O\n0.244805 0.244805 0.244805 O\n0.681849 0.681849 0.060574 O\n0.640016 0.640016 0.640016 O\n0.123098 0.123098 0.123098 O\n0.181770 0.800685 0.800686 O\n0.800685 0.800685 0.181770 O\n0.800639 0.465132 0.800639 O\n0.755195 0.755195 0.755195 O\n0.359984 0.359984 0.359984 O\n0.318150 0.939427 0.318152 O\n0.199315 0.199315 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Cl8\n1.0\n8.070152 0.000000 0.487734\n0.000000 10.477005 0.000000\n1.570408 0.000000 6.140222\nSi B H C N Cl\n4 4 4 12 4 8\ndirect\n0.275278 0.838133 0.512039 Si\n0.724722 0.338133 0.987960 Si\n0.724722 0.161867 0.487960 Si\n0.275278 0.661867 0.012039 Si\n0.898857 0.936017 0.598825 B\n0.101144 0.436017 0.901174 B\n0.101143 0.063984 0.401174 B\n0.898857 0.563984 0.098825 B\n0.105691 0.503077 0.225302 H\n0.894309 0.003076 0.274698 H\n0.105691 -0.003076 0.725301 H\n0.894309 0.496924 0.774697 H\n0.440032 0.637147 0.224083 C\n0.313240 0.726150 0.271912 C\n0.686760 0.226149 0.228087 C\n0.686760 0.273851 0.728087 C\n0.313240 -0.226149 0.771912 C\n0.559968 0.137146 0.275917 C\n0.559968 0.362854 0.775916 C\n0.440032 -0.137146 0.724082 C\n0.457909 0.554517 0.037802 C\n0.542091 0.054517 0.462197 C\n0.542091 0.445483 0.962197 C\n0.457910 -0.054517 0.537802 C\n0.902711 0.045345 0.418039 N\n0.097289 0.545345 0.081961 N\n0.097289 -0.045345 0.581960 N\n0.902711 0.454656 0.918038 N\n0.148256 0.219630 0.488932 Cl\n0.756076 0.988058 0.871540 Cl\n0.243924 0.488057 0.628459 Cl\n0.243924 0.011943 0.128459 Cl\n0.756076 0.511943 0.371540 Cl\n-0.148256 0.780370 0.511068 Cl\n0.148256 0.280370 0.988932 Cl\n-0.148256 0.719630 0.011068 Cl\n","nsites":36,"nelements":6,"elements":["Si","B","H","C","N","Cl"],"chemical_system":"B-C-Cl-H-N-Si","density":2.090213003890476,"density_atomic":0.07043117666545877,"volume":511.13727903477314,"volume_molar":8.550390672307781,"formula_full":"Si4 B4 H4 C12 N4 Cl8","formula_reduced":"SiBHC3NCl2","formula_anonymous":"ABCDE2F3","energy_above_hull":4.418299174259259,"spacegroup":14},{"id":"jvasp-61703","created_at":"2022-09-04T14:35:50.643442Z","updated_at":"2022-09-04T14:35:50.643466Z","structure_string":"Na4 Be1 Al1 Si4 Cl1 O12\n1.0\n-4.335712 4.335713 4.469798\n4.335712 -4.335713 4.469798\n4.335713 4.335712 -4.469798\nNa Be Al Si Cl O\n4 1 1 4 1 12\ndirect\n0.985182 0.028049 0.650940 Na\n0.377108 0.334241 0.349059 Na\n0.971951 0.622892 0.957134 Na\n0.665759 0.014818 0.042866 Na\n0.750000 0.250000 0.500000 Be\n0.250000 0.750000 0.500000 Al\n0.749680 0.509571 0.267977 Si\n0.241594 0.481702 0.732022 Si\n0.518297 0.250320 0.759891 Si\n0.490429 0.758406 0.240109 Si\n0.000000 0.000000 0.000000 Cl\n0.410750 0.693817 0.982185 O\n0.571434 0.589250 0.283067 O\n0.690292 0.996926 0.389168 O\n0.698877 0.309709 0.306634 O\n0.003074 0.392242 0.693365 O\n0.990084 0.717176 0.433470 O\n0.283706 0.556613 0.566529 O\n0.282824 0.716294 0.272907 O\n0.443387 0.009916 0.727093 O\n0.306183 0.288367 0.716933 O\n0.711633 0.428566 0.017815 O\n0.607758 0.301123 0.610831 O\n","nsites":23,"nelements":6,"elements":["Na","Be","Al","Si","Cl","O"],"chemical_system":"Al-Be-Cl-Na-O-Si","density":2.3109221885614035,"density_atomic":0.06843196247751761,"volume":336.10025443236907,"volume_molar":8.800187137667567,"formula_full":"Na4 Be1 Al1 Si4 Cl1 O12","formula_reduced":"Na4BeAlSi4ClO12","formula_anonymous":"ABCD4E4F12","energy_above_hull":2.2185215377173915,"spacegroup":82},{"id":"jvasp-97856","created_at":"2022-09-04T14:35:53.439235Z","updated_at":"2022-09-04T14:35:53.439262Z","structure_string":"B2 H22 C8 Br2 N2 F8\n1.0\n5.634249 0.000000 -1.476690\n0.000000 7.609273 0.000000\n-0.041421 0.000000 9.329095\nB H C Br N F\n2 22 8 2 2 8\ndirect\n0.053402 0.750000 0.759320 B\n0.946598 0.250000 0.240680 B\n0.762249 0.415157 0.757792 H\n0.288888 0.596156 0.060371 H\n0.249655 0.369210 0.586170 H\n0.750345 0.630790 0.413831 H\n0.174411 0.368342 0.823641 H\n0.711112 0.096156 0.939630 H\n0.825589 0.868341 0.176360 H\n0.825589 0.631658 0.176360 H\n0.514180 0.527780 0.794146 H\n0.711112 0.403844 0.939630 H\n0.514180 0.972219 0.794146 H\n0.237751 0.915156 0.242208 H\n0.237751 0.584843 0.242208 H\n0.249655 0.130790 0.586170 H\n0.485820 0.472219 0.205855 H\n0.288888 0.903844 0.060371 H\n0.635878 0.750000 0.024314 H\n0.762249 0.084843 0.757792 H\n0.174411 0.131658 0.823641 H\n0.485820 0.027780 0.205855 H\n0.364122 0.250000 0.975686 H\n0.750345 0.869210 0.413831 H\n0.643426 0.750000 0.387025 C\n0.628222 0.412174 0.820608 C\n0.371778 0.912174 0.179393 C\n0.718607 0.750000 0.143350 C\n0.356575 0.250000 0.612975 C\n0.281394 0.250000 0.856651 C\n0.371778 0.587825 0.179393 C\n0.628222 0.087826 0.820608 C\n0.583912 0.250000 0.491361 Br\n0.416088 0.750000 0.508640 Br\n0.522504 0.750000 0.222910 N\n0.477496 0.250000 0.777090 N\n0.989539 0.097721 0.331042 F\n0.910583 0.750000 0.860731 F\n0.010461 0.597721 0.668959 F\n0.297444 0.750000 0.841447 F\n0.702556 0.250000 0.158554 F\n0.089418 0.250000 0.139270 F\n0.989539 0.402278 0.331042 F\n0.010461 0.902278 0.668959 F\n","nsites":44,"nelements":6,"elements":["B","H","C","Br","N","F"],"chemical_system":"B-Br-C-F-H-N","density":1.9938732171204279,"density_atomic":0.11013862083748482,"volume":399.4965586587856,"volume_molar":5.467782975860918,"formula_full":"B2 H22 C8 Br2 N2 F8","formula_reduced":"BH11C4BrNF4","formula_anonymous":"ABCD4E4F11","energy_above_hull":3.5077095940151506,"spacegroup":11}]}