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{
"id": "jvasp-50991",
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{
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{
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"structure_string": "Be2 Co4 O8\n1.0\n-3.866298 3.866298 0.000000\n3.866298 0.000000 3.866298\n3.866298 3.866298 0.000000\nBe Co O\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.500000 0.250000 Be\n0.625000 0.250000 0.125000 Co\n0.625000 0.250000 0.625000 Co\n0.625000 0.750000 0.625000 Co\n0.125000 0.750000 0.625000 Co\n0.867609 0.245073 0.377465 O\n0.872536 0.254927 0.872536 O\n0.872536 0.745073 0.382392 O\n0.377465 0.245073 0.377465 O\n0.377465 0.754928 0.377465 O\n0.382392 0.254927 0.872536 O\n0.872536 0.745073 0.872536 O\n0.377465 0.754928 0.867609 O\n",
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{
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"structure_string": "Zr1 H8 C6 O4\n1.0\n3.767325 0.060977 0.168254\n1.158482 4.441881 0.895502\n0.173617 0.026666 9.425518\nZr H C O\n1 8 6 4\ndirect\n0.035184 0.849315 0.301805 Zr\n0.792174 0.212161 0.920265 H\n0.328242 0.315470 0.873702 H\n0.820589 0.743248 0.856382 H\n0.338429 0.875878 0.856264 H\n0.068701 0.340162 0.669559 H\n0.667085 0.234269 0.647003 H\n0.274135 0.733615 0.631932 H\n0.638574 0.900012 0.604036 H\n0.537388 0.394395 0.920329 C\n0.568130 0.694571 0.827465 C\n0.558943 0.701110 0.664061 C\n0.879235 0.455636 0.452065 C\n0.800846 0.418840 0.614600 C\n0.414262 0.395905 0.075974 C\n0.192315 0.632806 0.109009 O\n0.963700 0.174197 0.411115 O\n0.587335 0.661905 0.364372 O\n0.517325 0.145760 0.166838 O\n",
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{
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"created_at": "2022-09-04T14:38:41.927566Z",
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"structure_string": "Li7 Mn2 Co3 O12\n1.0\n2.844587 -0.000000 0.000000\n0.000000 4.973810 -0.013460\n-0.000000 -0.194582 14.004377\nLi Mn Co O\n7 2 3 12\ndirect\n0.500001 0.498359 0.005376 Li\n-0.000000 0.341387 0.836499 Li\n0.500001 0.159006 0.668648 Li\n-0.000000 0.996596 0.494991 Li\n-0.000000 0.665391 0.171440 Li\n0.500001 0.846383 0.323162 Li\n0.500001 0.165598 0.170991 Li\n-0.000000 0.011332 0.004247 Mn\n0.500001 0.495278 0.499986 Mn\n-0.000000 0.663283 0.666721 Co\n-0.000000 0.330793 0.330182 Co\n0.500001 0.834768 0.832032 Co\n-0.000000 0.315106 0.073141 O\n0.500001 0.849952 0.072019 O\n-0.000000 0.697174 0.908652 O\n0.500001 0.528455 0.744928 O\n-0.000000 0.348546 0.580635 O\n-0.000000 0.020222 0.256636 O\n0.500001 0.191302 0.417147 O\n0.500001 0.141692 0.917238 O\n0.000000 -0.030295 0.751724 O\n0.500001 0.803925 0.587067 O\n-0.000000 0.642418 0.425314 O\n0.500001 0.483335 0.261225 O\n",
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{
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"created_at": "2022-09-04T14:38:26.124061Z",
"updated_at": "2022-09-04T14:38:26.124081Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n2.843151 -0.000000 0.000000\n0.000000 4.981987 -0.018345\n-0.000000 -0.176919 13.988450\nLi Mn Co O\n7 2 3 12\ndirect\n-0.000000 0.668246 0.174895 Li\n0.500000 0.841932 0.325370 Li\n0.000000 0.001826 0.490493 Li\n0.500000 0.166045 0.664487 Li\n-0.000000 0.334030 0.836741 Li\n0.500000 0.494537 0.007201 Li\n0.500000 0.165262 0.172418 Li\n-0.000000 0.006874 0.004828 Mn\n-0.000000 0.666457 0.665480 Mn\n0.500000 0.500330 0.499951 Co\n0.500000 0.831897 0.832200 Co\n-0.000000 0.331011 0.330623 Co\n-0.000000 0.974443 0.751352 O\n0.000000 0.019323 0.257880 O\n0.500000 0.199440 0.415151 O\n-0.000000 0.357528 0.582205 O\n0.500000 0.519976 0.745262 O\n-0.000000 0.693833 0.908088 O\n0.500000 0.846137 0.072516 O\n-0.000000 0.310279 0.073112 O\n0.500000 0.484409 0.260722 O\n-0.000000 0.634730 0.424428 O\n0.500000 0.815059 0.587415 O\n0.500000 0.136401 0.917182 O\n",
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{
"id": "jvasp-112128",
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"structure_string": "Zn1 H14 C9 O4\n1.0\n4.125313 0.042299 0.260719\n1.888657 4.067729 0.195091\n0.284870 -0.314721 13.852208\nZn H C O\n1 14 9 4\ndirect\n0.030176 0.025371 0.173616 Zn\n0.717681 0.302740 0.580969 H\n0.212070 0.769776 0.860718 H\n0.904942 0.594265 0.861954 H\n0.233572 0.791455 0.672870 H\n0.937080 0.604934 0.671216 H\n0.414866 0.125134 0.576196 H\n0.310469 0.794947 0.488061 H\n0.660237 0.245087 0.937841 H\n0.343152 0.084023 0.944351 H\n0.668503 0.294407 0.760062 H\n0.365649 0.114922 0.760805 H\n0.810146 0.268792 0.405002 H\n0.478849 0.140013 0.385098 H\n0.010106 0.616287 0.480197 H\n0.238546 0.465824 0.044563 C\n0.367541 0.318301 0.943898 C\n0.194513 0.532573 0.857888 C\n0.379017 0.355057 0.762268 C\n0.296075 0.555934 0.485361 C\n0.429347 0.364620 0.578398 C\n0.521794 0.362553 0.395770 C\n0.447870 0.552810 0.301836 C\n0.224422 0.549597 0.671332 C\n0.082303 0.780964 0.053138 O\n0.673076 0.465214 0.228398 O\n0.148695 0.811729 0.300024 O\n0.310685 0.267222 0.115604 O\n",
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{
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"structure_string": "Mg4 H8\n1.0\n3.132082 -0.000000 0.000000\n-0.000000 5.258127 0.000000\n0.000000 0.000000 6.014893\nMg H\n4 8\ndirect\n0.250000 0.749956 0.599613 Mg\n0.749999 0.250045 0.400386 Mg\n0.250000 0.249955 0.900386 Mg\n0.749999 0.750045 0.099614 Mg\n0.250000 0.481856 0.163084 H\n0.749999 0.518145 0.836916 H\n0.250000 0.981856 0.336916 H\n0.749999 0.018145 0.663084 H\n0.749999 0.638111 0.422074 H\n0.250000 0.361889 0.577926 H\n0.749999 0.138111 0.077926 H\n0.250000 0.861889 0.922074 H\n",
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{
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{
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"structure_string": "Li7 Mn2 Co3 O12\n1.0\n6.156435 0.012047 1.504852\n5.492373 2.781309 1.504852\n-0.046847 -0.011234 11.601412\nLi Mn Co O\n7 2 3 12\ndirect\n0.674909 0.674912 0.578147 Li\n0.332585 0.332588 0.428276 Li\n-0.003242 -0.003241 0.262018 Li\n0.669946 0.669948 0.089377 Li\n0.333807 0.333811 0.908959 Li\n0.990516 0.990521 0.734701 Li\n0.335430 0.335432 0.655989 Li\n-0.001678 -0.001678 0.003131 Mn\n0.672774 0.672778 0.827887 Mn\n0.667181 0.667184 0.333780 Co\n0.334063 0.334065 0.168518 Co\n-0.002787 -0.002786 0.502031 Co\n0.497305 0.497307 0.118584 O\n0.507939 0.507941 0.383464 O\n0.174826 0.174827 0.217504 O\n0.839537 0.839539 0.052181 O\n0.502112 0.502116 0.889413 O\n0.161363 0.161366 0.724619 O\n0.841724 0.841727 0.536633 O\n0.820751 0.820755 0.798302 O\n0.503564 0.503567 0.608969 O\n0.160639 0.160640 0.445224 O\n0.827872 0.827875 0.279364 O\n0.158833 0.158836 0.952924 O\n",
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{
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]
}