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{
"id": "jvasp-108140",
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"structure_string": "Cr6 C3 N1\n1.0\n4.825331 -0.003350 0.000000\n-4.023767 2.663293 0.000000\n-0.000000 -0.000000 6.969379\nCr C N\n6 3 1\ndirect\n0.596963 0.403036 -0.000000 Cr\n0.389050 0.610948 0.500000 Cr\n0.863228 0.136772 0.169197 Cr\n0.147885 0.852113 0.315784 Cr\n0.863228 0.136772 0.830803 Cr\n0.147885 0.852113 0.684217 Cr\n0.502074 0.497924 0.257279 C\n0.502074 0.497924 0.742721 C\n0.244269 0.755729 -0.000000 C\n0.743336 0.256663 0.500000 N\n",
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{
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"structure_string": "Mg1 Mn1 O2\n1.0\n1.286843 -2.502737 0.832806\n-1.525940 -2.497018 -0.004657\n1.280599 -2.489328 -4.260800\nMg Mn O\n1 1 2\ndirect\n0.500000 0.500005 0.499999 Mg\n0.000001 0.000004 0.999999 Mn\n0.250598 0.248897 0.251615 O\n0.749403 0.751112 0.748384 O\n",
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{
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"structure_string": "Cu1 N1\n1.0\n2.615646 -0.000000 0.000000\n0.000000 2.615646 0.000000\n0.000000 0.000000 2.615646\nCu N\n1 1\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500001 0.500001 0.500001 N\n",
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{
"id": "jvasp-36271",
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"updated_at": "2022-09-04T14:38:01.989453Z",
"structure_string": "Cu1 N1\n1.0\n2.615665 0.000000 0.000000\n0.000000 2.615665 -0.000000\n-0.000000 -0.000000 2.615665\nCu N\n1 1\ndirect\n0.000000 0.000000 0.000000 Cu\n0.499999 0.499999 0.499999 N\n",
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{
"id": "jvasp-45931",
"created_at": "2022-09-04T14:38:09.363732Z",
"updated_at": "2022-09-04T14:38:09.363765Z",
"structure_string": "Li3 Ti1 Co3 O8\n1.0\n5.091197 1.503203 -2.403774\n1.605541 -5.437805 0.000000\n1.605541 -2.481880 -4.838388\nLi Ti Co O\n3 1 3 8\ndirect\n0.500000 0.000001 -0.000001 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ti\n-0.000000 -0.000000 0.500000 Co\n-0.000000 0.500000 0.000000 Co\n-0.000000 0.499999 0.500000 Co\n0.221895 0.241535 0.019640 O\n0.221894 0.241534 0.516930 O\n0.221895 0.738825 0.019640 O\n0.209609 0.736536 0.526928 O\n0.790391 0.263464 0.473072 O\n0.778106 0.261175 0.980360 O\n0.778106 0.758465 0.483070 O\n0.778106 0.758465 0.980360 O\n",
"nsites": 15,
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{
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"created_at": "2022-09-04T14:36:17.228676Z",
"updated_at": "2022-09-04T14:36:17.228702Z",
"structure_string": "Be4 Si1 Ni1\n1.0\n3.667144 -0.000000 2.117226\n1.222381 3.457417 2.117226\n-0.000000 -0.000000 4.234453\nBe Si Ni\n4 1 1\ndirect\n0.624427 0.624429 0.126715 Be\n0.624428 0.126714 0.624429 Be\n0.126713 0.624429 0.624429 Be\n0.624427 0.624429 0.624429 Be\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 Ni\n",
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{
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"created_at": "2022-09-04T14:36:45.920876Z",
"updated_at": "2022-09-04T14:36:45.920897Z",
"structure_string": "Co2 C2 N4\n1.0\n1.495860 -2.590906 0.000000\n1.495860 2.590906 0.000000\n-0.000000 -0.000000 9.235581\nCo C N\n2 2 4\ndirect\n0.000000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.333333 0.666667 0.250000 C\n0.666667 0.333333 0.750000 C\n0.666667 0.333333 0.615712 N\n0.333333 0.666667 0.384288 N\n0.666667 0.333333 0.884288 N\n0.333333 0.666667 0.115712 N\n",
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{
"id": "jvasp-116856",
"created_at": "2022-09-04T14:38:49.921689Z",
"updated_at": "2022-09-04T14:38:49.921710Z",
"structure_string": "Li6 Mn3 V3 O12\n1.0\n4.872500 -0.001871 -1.530276\n-0.105468 5.841632 -0.871363\n0.015254 -0.007326 7.542456\nLi Mn V O\n6 3 3 12\ndirect\n0.002639 0.589065 0.839098 Li\n0.004588 0.758476 0.509370 Li\n-0.005175 0.084461 0.827326 Li\n0.997360 0.410934 0.160902 Li\n0.005174 0.915538 0.172675 Li\n0.995411 0.241523 0.490630 Li\n0.489647 0.321647 0.837686 Mn\n0.510352 0.678352 0.162314 Mn\n0.499999 0.500000 0.500000 Mn\n0.489047 0.157477 0.157005 V\n0.500000 -0.000000 0.500000 V\n0.510952 0.842522 0.842995 V\n0.285779 0.551897 0.680719 O\n0.738062 0.120538 0.995327 O\n0.749305 0.635572 0.008201 O\n0.741644 0.967705 0.341624 O\n0.714220 0.448102 0.319281 O\n0.743728 0.803064 0.671676 O\n0.712700 0.282468 0.657254 O\n0.250694 0.364427 0.991799 O\n0.261936 0.879461 0.004673 O\n0.287298 0.717531 0.342746 O\n0.256270 0.196935 0.328325 O\n0.258355 0.032294 0.658376 O\n",
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{
"id": "jvasp-89341",
"created_at": "2022-09-04T14:36:16.295869Z",
"updated_at": "2022-09-04T14:36:16.295881Z",
"structure_string": "Bi4 B12 O24\n1.0\n4.307703 0.000000 0.000000\n0.000000 4.482802 0.000000\n0.000000 0.000000 18.539964\nBi B O\n4 12 24\ndirect\n0.311907 0.158856 0.661448 Bi\n0.811907 0.841143 0.338552 Bi\n0.811907 0.158856 0.838552 Bi\n0.311907 0.841143 0.161448 Bi\n0.381090 0.175307 0.001655 B\n0.881089 0.175307 0.498345 B\n0.831558 0.364704 0.212697 B\n0.355191 0.672001 0.927280 B\n0.831558 0.635296 0.712697 B\n0.881089 0.824693 0.998345 B\n0.331559 0.635296 0.787303 B\n0.855191 0.672001 0.572720 B\n0.331559 0.364704 0.287303 B\n0.381090 0.824693 0.501655 B\n0.355191 0.327998 0.427280 B\n0.855191 0.327998 0.072720 B\n0.012029 0.745187 0.775985 O\n0.524059 0.263028 0.068151 O\n0.929227 0.361719 0.560147 O\n0.024060 0.263028 0.431849 O\n0.512028 0.254812 0.224015 O\n0.929227 0.638281 0.060147 O\n0.337933 0.690509 0.288656 O\n0.964150 0.242613 0.145803 O\n0.837933 0.309490 0.711344 O\n0.012029 0.254812 0.275985 O\n0.024060 0.736972 0.931849 O\n0.464150 0.757386 0.854197 O\n0.026950 0.128087 0.017876 O\n0.464150 0.242613 0.354197 O\n0.524059 0.736972 0.568151 O\n0.429227 0.361719 0.939853 O\n0.837933 0.690509 0.211344 O\n0.526950 0.128087 0.482124 O\n0.337933 0.309490 0.788656 O\n0.526950 0.871912 0.982124 O\n0.429227 0.638281 0.439853 O\n0.026950 0.871912 0.517876 O\n0.512028 0.745187 0.724015 O\n0.964150 0.757386 0.645803 O\n",
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{
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"created_at": "2022-09-04T14:38:02.712189Z",
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"structure_string": "Mg4 Co4 O12\n1.0\n0.000000 5.121338 -0.000687\n4.883812 0.000000 0.000000\n0.000000 -0.000933 -7.158146\nMg Co O\n4 4 12\ndirect\n0.928180 0.020004 0.250001 Mg\n0.428180 0.479996 0.250001 Mg\n0.571821 0.520004 0.750000 Mg\n0.071821 0.979996 0.750000 Mg\n0.500000 0.000000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.808034 0.815035 0.933225 O\n0.308035 0.684964 0.566775 O\n0.308034 0.684965 0.933225 O\n0.053955 0.630204 0.250000 O\n0.946046 0.369796 0.750001 O\n0.191966 0.184964 0.433226 O\n0.691966 0.315036 0.433226 O\n0.191967 0.184965 0.066776 O\n0.808035 0.815036 0.566775 O\n0.446046 0.130204 0.750001 O\n0.691967 0.315035 0.066776 O\n0.553955 0.869795 0.250000 O\n",
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{
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"created_at": "2022-09-04T14:36:00.136569Z",
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"structure_string": "Li3 Fe7 O12\n1.0\n4.935128 0.037722 -0.009336\n2.490937 4.260533 0.009336\n-0.848675 1.466249 9.415586\nLi Fe O\n3 7 12\ndirect\n0.322805 0.838875 0.993043 Li\n0.838877 0.322802 0.506957 Li\n0.921496 0.921493 0.750000 Li\n0.077280 0.077280 0.250000 Fe\n-0.002640 0.516601 0.986471 Fe\n0.253244 0.253242 0.750000 Fe\n0.516602 -0.002642 0.513530 Fe\n0.418245 0.418244 0.250000 Fe\n0.573594 0.573592 0.750000 Fe\n0.755900 0.755897 0.250000 Fe\n0.964002 0.224758 0.863895 O\n0.604697 0.863925 0.862044 O\n0.467142 0.715550 0.358113 O\n0.779970 0.050667 0.365152 O\n0.224760 0.964000 0.636105 O\n0.127215 0.363009 0.357815 O\n0.292478 0.535294 0.865622 O\n0.050668 0.779969 0.134849 O\n0.363010 0.127213 0.142185 O\n0.715552 0.467140 0.141887 O\n0.535295 0.292476 0.634379 O\n0.863927 0.604694 0.637957 O\n",
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{
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"created_at": "2022-09-04T14:38:46.903561Z",
"updated_at": "2022-09-04T14:38:46.903586Z",
"structure_string": "Li3 Fe5 Co2 O12\n1.0\n4.932034 0.014927 0.447827\n-2.605264 4.187813 0.447827\n-0.012315 -0.022245 9.514218\nLi Fe Co O\n3 5 2 12\ndirect\n0.673024 0.841862 0.744135 Li\n0.158139 0.326977 0.255866 Li\n0.076750 0.923250 0.500000 Li\n0.923478 0.076522 0.000000 Fe\n-0.005582 0.518292 0.736367 Fe\n0.481708 0.005583 0.263633 Fe\n0.582504 0.417496 0.000000 Fe\n0.423013 0.576988 0.500000 Fe\n0.746754 0.253246 0.500000 Co\n0.249440 0.750560 0.000000 Co\n0.035611 0.229886 0.614744 O\n0.394430 0.860254 0.613098 O\n0.222403 0.046717 0.113192 O\n0.537423 0.714630 0.107919 O\n0.770114 0.964389 0.385256 O\n0.874850 0.362313 0.107207 O\n0.953283 0.777598 0.886809 O\n0.705571 0.536125 0.614880 O\n0.637687 0.125151 0.892794 O\n0.285370 0.462578 0.892082 O\n0.463876 0.294429 0.385121 O\n0.139746 0.605570 0.386902 O\n",
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}