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{
"id": "jvasp-29531",
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"structure_string": "Ti4 Cl12\n1.0\n6.002759 0.000000 -0.000000\n-3.001380 5.198542 0.000000\n0.000000 0.000000 11.670843\nTi Cl\n4 12\ndirect\n0.000000 0.000000 0.750000 Ti\n0.666667 0.333333 0.750000 Ti\n0.000000 0.000000 0.250000 Ti\n0.333333 0.666667 0.250000 Ti\n0.666494 0.675160 0.129856 Cl\n0.008667 0.333506 0.129856 Cl\n0.324840 0.333506 0.370143 Cl\n0.333506 0.008667 0.629856 Cl\n0.324840 -0.008667 0.129856 Cl\n0.333506 0.324839 0.870143 Cl\n0.675160 0.008667 0.870143 Cl\n-0.008667 0.666493 0.870143 Cl\n-0.008667 0.324839 0.629856 Cl\n0.666494 -0.008667 0.370143 Cl\n0.675160 0.666493 0.629856 Cl\n0.008667 0.675160 0.370143 Cl\n",
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{
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{
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"updated_at": "2022-09-04T14:37:58.245288Z",
"structure_string": "Si6 O12\n1.0\n7.052401 -0.081213 -2.711535\n-3.923082 5.861091 -2.711535\n-0.043970 -0.081213 7.555585\nSi O\n6 12\ndirect\n0.202114 0.724790 0.925494 Si\n0.724790 0.925494 0.202114 Si\n0.797887 0.275211 0.074507 Si\n0.275211 0.074507 0.797887 Si\n0.925494 0.202114 0.724790 Si\n0.074506 0.797887 0.275211 Si\n0.760722 -0.004720 0.449852 O\n0.216279 0.852678 0.162258 O\n0.147322 0.837743 0.783721 O\n0.162257 0.216280 0.852678 O\n0.837743 0.783721 0.147323 O\n-0.004721 0.449852 0.760722 O\n0.449852 0.760722 -0.004720 O\n0.239279 0.004721 0.550148 O\n0.852678 0.162257 0.216280 O\n0.550148 0.239279 0.004722 O\n0.783721 0.147323 0.837744 O\n0.004721 0.550148 0.239279 O\n",
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{
"id": "jvasp-57807",
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"structure_string": "Si8 O16\n1.0\n6.921195 0.000000 0.000000\n0.000000 6.921195 -0.000000\n0.000000 -0.000000 7.081395\nSi O\n8 16\ndirect\n0.206171 0.450483 0.949382 Si\n0.049518 0.293829 0.550617 Si\n0.950483 0.706172 0.550617 Si\n0.450483 0.793829 0.050617 Si\n0.793829 0.549518 0.949382 Si\n0.706172 0.049518 0.449383 Si\n0.293829 0.950483 0.449383 Si\n0.549518 0.206171 0.050617 Si\n0.662206 0.162206 0.250000 O\n0.818240 0.843443 0.415464 O\n0.181761 0.156558 0.415464 O\n0.500000 0.000000 0.550002 O\n0.843443 0.181761 0.584536 O\n0.000000 0.500000 0.449997 O\n0.318240 0.656558 0.915463 O\n0.000000 0.500000 0.050004 O\n0.500000 0.000000 0.949997 O\n0.162206 0.337795 0.749999 O\n0.337795 0.837795 0.250000 O\n0.656558 0.681761 0.084536 O\n0.343442 0.318240 0.084536 O\n0.156558 0.818240 0.584536 O\n0.681761 0.343442 0.915463 O\n0.837795 0.662206 0.749999 O\n",
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{
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"structure_string": "V6 F24\n1.0\n7.469382 0.160550 0.194301\n-1.024362 7.400963 0.194156\n-1.024332 -1.201912 7.306483\nV F\n6 24\ndirect\n0.075393 0.191260 0.449683 V\n0.191265 0.449684 0.075391 V\n0.550282 0.924618 0.808747 V\n0.449717 0.075382 0.191254 V\n0.808734 0.550317 0.924609 V\n0.924607 0.808740 0.550317 V\n0.687312 0.761044 0.952865 F\n0.662883 0.447649 0.734279 F\n0.552382 0.265750 0.337078 F\n0.761016 0.952876 0.687327 F\n0.643626 0.091354 0.034199 F\n0.708884 0.468412 0.103819 F\n0.531634 0.896158 0.291093 F\n0.908642 0.965784 0.356395 F\n0.952863 0.687302 0.760999 F\n0.734236 0.662891 0.447672 F\n0.468366 0.103841 0.708907 F\n0.447619 0.734249 0.662922 F\n0.337118 0.552351 0.265721 F\n0.965788 0.356372 0.908676 F\n0.238985 0.047123 0.312673 F\n0.265765 0.337109 0.552327 F\n0.291116 0.531587 0.896181 F\n0.356375 0.908646 0.965801 F\n0.091358 0.034216 0.643606 F\n0.047138 0.312698 0.239001 F\n0.034212 0.643627 0.091324 F\n0.103833 0.708902 0.468366 F\n0.312689 0.238955 0.047135 F\n0.896168 0.291097 0.531633 F\n",
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{
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"created_at": "2022-09-04T14:37:57.290642Z",
"updated_at": "2022-09-04T14:37:57.290669Z",
"structure_string": "Pa2 Cl8\n1.0\n6.732768 -0.013990 -1.994690\n-3.757209 5.586925 -1.994690\n0.007470 0.013990 7.022028\nPa Cl\n2 8\ndirect\n0.875000 0.125000 0.750000 Pa\n0.125000 0.874999 0.250000 Pa\n0.201741 0.263597 0.561856 Cl\n0.639885 0.201741 0.438144 Cl\n0.360115 0.798258 0.561856 Cl\n0.798259 0.736403 0.438144 Cl\n0.798259 0.360115 0.061856 Cl\n0.736403 0.798258 0.938144 Cl\n0.201741 0.639885 0.938144 Cl\n0.263597 0.201741 0.061856 Cl\n",
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{
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"structure_string": "In3 Ga1\n1.0\n0.000000 3.726765 3.726765\n3.726765 0.000000 3.726765\n3.726765 3.726765 0.000000\nIn Ga\n3 1\ndirect\n0.000000 0.000000 0.000000 In\n0.500002 0.500002 0.500002 In\n0.250000 0.250000 0.250000 In\n0.750002 0.750002 0.750002 Ga\n",
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{
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"created_at": "2022-09-04T14:37:57.301809Z",
"updated_at": "2022-09-04T14:37:57.301824Z",
"structure_string": "Th2 Ag6\n1.0\n6.561885 0.000000 0.000000\n-3.280943 5.682758 0.000000\n-0.000000 -0.000000 4.800294\nTh Ag\n2 6\ndirect\n0.333333 0.666667 0.749999 Th\n0.666666 0.333333 0.250000 Th\n0.149996 0.299993 0.250000 Ag\n0.700007 0.850004 0.250000 Ag\n0.149997 0.850004 0.250000 Ag\n0.850003 0.700007 0.749999 Ag\n0.299993 0.149996 0.749999 Ag\n0.850003 0.149996 0.749999 Ag\n",
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{
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"structure_string": "Zr2 Cl6\n1.0\n6.137804 0.000000 -0.000000\n-3.068902 5.315494 0.000000\n-0.000000 0.000000 6.022753\nZr Cl\n2 6\ndirect\n0.666667 0.333333 0.000000 Zr\n0.333333 0.666667 -0.000000 Zr\n0.670627 0.670627 0.250253 Cl\n0.329372 0.329372 0.749747 Cl\n-0.000000 0.329372 0.250253 Cl\n0.329372 0.000000 0.250253 Cl\n0.670627 0.000000 0.749747 Cl\n-0.000000 0.670627 0.749747 Cl\n",
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{
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{
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}