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{
"id": "jvasp-14223",
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"updated_at": "2022-09-04T14:35:49.639721Z",
"structure_string": "Nd3 Al9 Br36\n1.0\n5.133204 -8.890972 -0.000000\n5.133204 8.890972 0.000000\n-0.000000 -0.000000 18.398225\nNd Al Br\n3 9 36\ndirect\n0.274776 0.274776 0.500000 Nd\n-0.000000 0.725223 0.166667 Nd\n0.725223 -0.000000 0.833333 Nd\n0.688442 0.317263 0.108749 Al\n0.628821 0.311557 0.775415 Al\n0.893323 0.893323 0.000000 Al\n-0.000000 0.106677 0.666667 Al\n0.682736 0.371178 0.442082 Al\n0.371178 0.682736 0.557918 Al\n0.311557 0.628821 0.224585 Al\n0.106677 -0.000000 0.333333 Al\n0.317263 0.688442 0.891251 Al\n0.029967 0.249243 0.770134 Br\n0.201398 0.074527 0.636445 Br\n0.873128 0.798601 0.303112 Br\n0.970032 0.219275 0.563201 Br\n0.780723 0.750756 0.896534 Br\n0.249243 0.029967 0.229867 Br\n0.219275 0.970032 0.436800 Br\n0.411886 0.296757 0.814296 Br\n0.296757 0.411886 0.185705 Br\n0.588113 0.884871 0.519039 Br\n0.115128 0.703242 0.852372 Br\n0.703242 0.115128 0.147629 Br\n0.925473 0.126871 0.969778 Br\n0.884871 0.588113 0.480962 Br\n0.718432 0.214475 0.368545 Br\n0.750756 0.780723 0.103466 Br\n0.126871 0.925473 0.030222 Br\n0.922730 0.495193 0.052901 Br\n0.074527 0.201398 0.363555 Br\n0.503958 0.785524 0.298122 Br\n0.281567 0.496041 0.964788 Br\n0.214475 0.718432 0.631455 Br\n0.537259 0.236290 0.544406 Br\n0.763709 0.300968 0.877740 Br\n0.699031 0.462740 0.211072 Br\n0.462740 0.699031 0.788928 Br\n0.236290 0.537259 0.455594 Br\n0.300968 0.763709 0.122261 Br\n0.504806 0.427536 0.386235 Br\n0.572463 0.077269 0.719568 Br\n0.785524 0.503958 0.701878 Br\n0.495193 0.922730 0.947100 Br\n0.427536 0.504806 0.613765 Br\n0.077269 0.572463 0.280432 Br\n0.798601 0.873128 0.696888 Br\n0.496041 0.281567 0.035212 Br\n",
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{
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{
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"updated_at": "2022-09-04T14:35:49.743515Z",
"structure_string": "Be1 Re2 Mo1\n1.0\n3.102897 0.000000 0.000000\n0.000000 3.102897 0.000000\n-0.000000 0.000000 5.717879\nBe Re Mo\n1 2 1\ndirect\n0.000000 0.000000 0.489222 Be\n0.000000 0.000000 -0.003967 Re\n0.500001 0.500001 0.286051 Re\n0.500001 0.500001 0.728693 Mo\n",
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{
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{
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"structure_string": "Ti4 S4 O20\n1.0\n5.276293 -0.000000 0.000000\n-0.000000 6.609215 0.000000\n0.000000 0.000000 11.168039\nTi S O\n4 4 20\ndirect\n0.250000 0.841737 0.056716 Ti\n0.750000 0.341737 0.443284 Ti\n0.250000 0.658262 0.556716 Ti\n0.750000 0.158262 0.943284 Ti\n0.250000 0.476804 0.844367 S\n0.750000 0.523194 0.155633 S\n0.750000 0.976805 0.655633 S\n0.250000 0.023196 0.344367 S\n0.750000 0.480279 0.285520 O\n0.750000 0.173896 0.592572 O\n0.519296 0.864568 0.626126 O\n0.500000 0.000000 0.000000 O\n0.980703 0.864568 0.626126 O\n0.480704 0.364569 0.873874 O\n0.000000 0.000000 0.000000 O\n0.019296 0.135431 0.373874 O\n0.750000 0.019720 0.785520 O\n0.480704 0.135431 0.373874 O\n0.750000 0.326104 0.092572 O\n0.980703 0.635431 0.126126 O\n0.000000 0.500000 0.500000 O\n0.019296 0.364569 0.873874 O\n0.250000 0.826104 0.407428 O\n0.250000 0.980279 0.214480 O\n0.500000 0.500000 0.500000 O\n0.250000 0.673895 0.907428 O\n0.519296 0.635431 0.126126 O\n0.250000 0.519720 0.714480 O\n",
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"structure_string": "Na6 Cu2 O4\n1.0\n-5.298335 0.000125 -0.003956\n-0.000172 -5.943557 -0.002165\n2.645408 2.969214 5.251532\nNa Cu O\n6 2 4\ndirect\n0.764659 0.512354 0.524684 Na\n0.502801 0.250449 0.000925 Na\n0.502739 0.750448 0.000926 Na\n0.764725 0.012347 0.524682 Na\n0.240892 0.488501 0.477143 Na\n0.240965 0.988501 0.477174 Na\n0.002776 0.000425 0.000925 Cu\n0.002781 0.500444 0.000917 Cu\n0.875661 0.626848 0.253727 O\n0.382712 0.126839 0.253731 O\n0.622854 0.874037 0.748116 O\n0.129906 0.374043 0.748116 O\n",
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"structure_string": "Sr2 V12 O22\n1.0\n5.972979 0.000000 0.000000\n-2.986490 5.172751 -0.000000\n-0.000000 0.000000 13.319985\nSr V O\n2 12 22\ndirect\n0.666667 0.333333 0.750000 Sr\n0.333333 0.666667 0.250000 Sr\n0.500000 0.000000 0.500000 V\n-0.000000 0.500000 0.500000 V\n0.000000 0.000000 0.644467 V\n0.666667 0.333333 0.250000 V\n-0.000000 0.500000 0.000000 V\n0.000000 0.000000 0.355532 V\n0.500000 0.500000 0.500000 V\n0.500000 0.500000 0.000000 V\n0.000000 0.000000 0.144468 V\n0.500000 0.000000 0.000000 V\n0.000000 0.000000 0.855532 V\n0.333333 0.666667 0.750000 V\n0.829795 0.170205 0.573184 O\n0.170205 0.340410 0.426816 O\n0.333333 0.666667 0.592515 O\n0.340410 0.170205 0.926816 O\n0.829795 0.659590 0.573184 O\n0.170205 0.829795 0.426816 O\n0.876830 0.123170 0.750000 O\n0.170205 0.340410 0.073184 O\n0.876830 0.753660 0.750000 O\n0.829795 0.170205 0.926816 O\n0.340410 0.170205 0.573184 O\n0.123170 0.876830 0.250000 O\n0.659590 0.829795 0.073184 O\n0.666667 0.333333 0.407485 O\n0.123170 0.246339 0.250000 O\n0.246339 0.123170 0.750000 O\n0.666667 0.333333 0.092515 O\n0.333333 0.666667 0.907485 O\n0.170205 0.829795 0.073184 O\n0.753660 0.876830 0.250000 O\n0.829795 0.659590 0.926816 O\n0.659590 0.829795 0.426816 O\n",
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}