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{
"id": "jvasp-119679",
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{
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"structure_string": "Lu6 Ni14 B4\n1.0\n2.498845 -4.328127 -0.000000\n2.498845 4.328127 0.000000\n-0.000000 0.000000 14.223190\nLu Ni B\n6 14 4\ndirect\n0.333332 0.666666 0.216851 Lu\n0.666666 0.333332 0.716853 Lu\n0.666666 0.333332 0.283147 Lu\n0.333332 0.666666 0.783149 Lu\n0.333332 0.666666 0.000000 Lu\n0.666666 0.333332 0.500000 Lu\n0.166050 0.833948 0.397155 Ni\n0.166051 0.332102 0.397155 Ni\n0.667896 0.833947 0.397155 Ni\n0.332102 0.166051 0.897153 Ni\n0.833947 0.667896 0.897153 Ni\n0.833947 0.166051 0.897153 Ni\n0.332102 0.166051 0.102847 Ni\n0.166051 0.332102 0.602845 Ni\n0.667896 0.833947 0.602845 Ni\n0.833947 0.166051 0.102847 Ni\n0.166050 0.833948 0.602845 Ni\n0.000000 0.000000 0.249997 Ni\n0.000000 0.000000 0.750003 Ni\n0.833947 0.667896 0.102847 Ni\n0.000000 0.000000 0.500000 B\n0.333332 0.666666 0.500000 B\n0.666666 0.333332 0.000000 B\n0.000000 0.000000 0.000000 B\n",
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{
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"updated_at": "2022-09-04T14:37:04.665143Z",
"structure_string": "K2 Bi1 Au1 Cl6\n1.0\n6.562361 0.000000 3.788781\n2.187453 6.187053 3.788781\n-0.000000 -0.000000 7.577561\nK Bi Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Au\n0.747157 0.252843 0.252843 Cl\n0.252843 0.252843 0.747157 Cl\n0.252843 0.747157 0.747157 Cl\n0.252843 0.747157 0.252843 Cl\n0.747157 0.252843 0.747157 Cl\n0.747157 0.747157 0.252843 Cl\n",
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{
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"created_at": "2022-09-04T14:38:42.879035Z",
"updated_at": "2022-09-04T14:38:42.879051Z",
"structure_string": "H4 C12 S4 O4\n1.0\n3.641928 0.010535 -0.567295\n-1.092657 8.279635 -1.036364\n0.159934 0.148597 10.153734\nH C S O\n4 12 4 4\ndirect\n0.402189 0.541210 0.252872 H\n0.902161 0.041202 0.752892 H\n0.676215 0.740717 0.096667 H\n0.176252 0.240738 0.596718 H\n0.738217 0.702425 0.638882 C\n0.238255 0.202420 0.138900 C\n0.157111 0.212478 0.280108 C\n0.657079 0.712457 0.780090 C\n0.368655 0.345848 0.089348 C\n0.868643 0.845865 0.589350 C\n0.627495 0.530214 0.945651 C\n0.093372 0.112192 0.568491 C\n0.593345 0.612169 0.068453 C\n0.946129 0.005658 0.650546 C\n0.446135 0.505649 0.150525 C\n0.127543 0.030254 0.445685 C\n0.475002 0.326493 0.926487 S\n0.975019 0.826535 0.426494 S\n0.143520 0.024827 0.045061 S\n0.643467 0.524848 0.545018 S\n0.491543 0.811488 0.834114 O\n0.774520 0.581646 0.839223 O\n0.274623 0.081700 0.339273 O\n0.991514 0.311503 0.334109 O\n",
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{
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"created_at": "2022-09-04T14:37:18.963105Z",
"updated_at": "2022-09-04T14:37:18.963133Z",
"structure_string": "Si6 O12\n1.0\n7.667520 -0.005544 -3.770113\n-6.053468 4.705998 -3.770113\n-0.001904 -0.005545 8.544273\nSi O\n6 12\ndirect\n0.805878 0.805878 0.184593 Si\n0.194123 0.815409 0.194124 Si\n0.184593 0.805878 0.805878 Si\n0.815409 0.194124 0.194124 Si\n0.805879 0.184594 0.805879 Si\n0.194124 0.194124 0.815409 Si\n0.500001 0.000001 0.500001 O\n0.000000 0.822637 0.177366 O\n0.000001 0.000001 0.500000 O\n0.822637 0.000001 0.177366 O\n0.000000 0.500000 0.000000 O\n0.177365 0.822636 0.000001 O\n0.822637 0.177366 0.000001 O\n0.177366 0.000001 0.822637 O\n0.000001 0.500001 0.500001 O\n0.000001 0.177366 0.822637 O\n0.500000 0.500001 0.000001 O\n0.500000 0.000000 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:37:20.225231Z",
"updated_at": "2022-09-04T14:37:20.225269Z",
"structure_string": "Sm6 Ta2 O14\n1.0\n5.424146 3.720554 0.000000\n-5.424146 3.720554 0.000000\n0.000000 -0.000000 7.623616\nSm Ta O\n6 2 14\ndirect\n0.067014 0.521419 0.250000 Sm\n0.478580 0.932985 0.750000 Sm\n0.000000 0.000000 0.000000 Sm\n0.000000 0.000000 0.500000 Sm\n0.932985 0.478580 0.750000 Sm\n0.521419 0.067014 0.250000 Sm\n0.499999 0.499999 0.000000 Ta\n0.499999 0.499999 0.500000 Ta\n0.817426 0.562030 0.463582 O\n0.437968 0.182573 0.963582 O\n0.437968 0.182573 0.536419 O\n0.817426 0.562030 0.036419 O\n0.424613 0.424613 0.250000 O\n0.575386 0.575386 0.750000 O\n0.562030 0.817426 0.036419 O\n0.182573 0.437968 0.963582 O\n0.562030 0.817426 0.463582 O\n0.845536 0.108148 0.750000 O\n0.108148 0.845536 0.750000 O\n0.154463 0.891851 0.250000 O\n0.182573 0.437968 0.536419 O\n0.891851 0.154463 0.250000 O\n",
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{
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"updated_at": "2022-09-04T14:37:01.922943Z",
"structure_string": "Li8 Mn4 F16\n1.0\n6.033606 0.000000 -0.000000\n0.000000 6.033606 0.000000\n0.000000 0.000000 8.453154\nLi Mn F\n8 4 16\ndirect\n0.000000 0.212548 0.000000 Li\n0.000000 0.787453 0.500000 Li\n0.250867 0.250867 0.625000 Li\n0.250867 0.749134 0.875000 Li\n0.212548 0.000000 0.250000 Li\n0.787453 0.000000 0.750000 Li\n0.749134 0.250867 0.375000 Li\n0.749134 0.749134 0.125000 Li\n0.777670 0.500000 0.750000 Mn\n0.500000 0.777670 0.500000 Mn\n0.500000 0.222331 0.000000 Mn\n0.222331 0.500000 0.250000 Mn\n0.759314 -0.001876 0.987007 F\n0.759314 0.001876 0.512992 F\n0.752898 0.478300 0.000844 F\n0.752898 0.521701 0.499155 F\n0.478300 0.752898 0.249156 F\n0.478300 0.247102 0.250844 F\n0.521701 0.752898 0.750844 F\n-0.001876 0.759314 0.262992 F\n0.247102 0.478300 -0.000844 F\n0.247102 0.521701 0.500844 F\n0.240687 0.001876 0.487007 F\n0.240687 -0.001876 0.012992 F\n0.001876 0.240687 0.762992 F\n-0.001876 0.240687 0.237008 F\n0.521701 0.247102 0.749155 F\n0.001876 0.759314 0.737007 F\n",
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"structure_string": "Al2 S2 Cl6 O4\n1.0\n6.127764 0.082250 0.044033\n-2.417242 6.812268 -0.116792\n-2.086350 -1.370545 7.341605\nAl S Cl O\n2 2 6 4\ndirect\n0.720386 0.199516 0.844922 Al\n0.279614 0.800484 0.155079 Al\n0.376835 0.748238 0.760836 S\n0.623165 0.251761 0.239164 S\n0.900189 0.722811 0.088615 Cl\n0.063433 0.801359 0.618696 Cl\n0.099810 0.277188 0.911385 Cl\n0.444017 0.657290 0.346931 Cl\n0.936567 0.198640 0.381305 Cl\n0.555983 0.342709 0.653069 Cl\n0.581431 0.932478 0.758601 O\n0.633363 0.231057 0.046223 O\n0.366637 0.768943 0.953778 O\n0.418569 0.067522 0.241400 O\n",
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{
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