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"id": "jvasp-1645",
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{
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{
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"structure_string": "Li1 Be1 Cu2\n1.0\n-1.716564 1.716564 3.723509\n1.716564 -1.716564 3.723509\n1.716564 1.716564 -3.723509\nLi Be Cu\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Li\n0.749999 0.250000 0.499999 Be\n0.000000 0.000000 0.000000 Cu\n0.250000 0.749999 0.499999 Cu\n",
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{
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"structure_string": "Ti1 Cu2 Ni1 O4\n1.0\n2.973515 0.024331 11.334278\n1.482512 2.577701 11.334278\n0.041668 0.024331 11.717760\nTi Cu Ni O\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.752507 0.752503 0.752504 Cu\n0.247496 0.247495 0.247495 Cu\n0.500001 0.499999 0.500000 Ni\n0.195118 0.195117 0.195118 O\n0.698358 0.698355 0.698356 O\n0.804884 0.804881 0.804882 O\n0.301645 0.301643 0.301644 O\n",
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"created_at": "2022-09-04T14:36:20.855135Z",
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"structure_string": "Be1 Fe1 Cu2\n1.0\n-1.847590 1.847590 3.214284\n1.847590 -1.847590 3.214284\n1.847590 1.847590 -3.214284\nBe Fe Cu\n1 1 2\ndirect\n0.750000 0.250000 0.500000 Be\n0.499999 0.499999 0.000000 Fe\n0.000000 0.000000 0.000000 Cu\n0.250000 0.750000 0.500000 Cu\n",
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"structure_string": "Cr4 O4 F4\n1.0\n3.015947 0.000002 -0.000000\n-0.000010 11.243298 0.000002\n0.000000 0.000003 3.883137\nCr O F\n4 4 4\ndirect\n0.250000 0.577381 0.250000 Cr\n0.750001 0.422620 0.750001 Cr\n0.250000 0.077379 0.250000 Cr\n0.750001 0.922620 0.750000 Cr\n0.750000 0.460563 0.250000 O\n0.750001 0.960563 0.250000 O\n0.250001 0.039437 0.750000 O\n0.250001 0.539437 0.750000 O\n0.750001 0.188271 0.250001 F\n0.750000 0.688272 0.250000 F\n0.250000 0.311728 0.750000 F\n0.250000 0.811729 0.750001 F\n",
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"structure_string": "Li4 Mn3 O1 F11\n1.0\n5.459445 -0.177079 0.072771\n-1.173498 6.203201 -0.252591\n-0.833656 -1.925991 6.258242\nLi Mn O F\n4 3 1 11\ndirect\n0.160177 0.558331 0.340467 Li\n0.371159 0.622925 0.886992 Li\n0.610955 0.361398 0.100238 Li\n0.844455 0.449448 0.649370 Li\n0.715621 0.870559 0.414314 Mn\n-0.003322 -0.002834 0.019787 Mn\n0.286208 0.135740 0.552710 Mn\n0.017271 0.961536 0.311740 O\n0.639620 0.156001 0.424506 F\n0.335726 0.129100 0.085082 F\n0.813087 0.606362 0.442880 F\n0.547733 0.351139 0.798928 F\n0.400258 0.854204 0.554044 F\n0.187886 0.417010 0.565329 F\n0.657216 0.863541 -0.060801 F\n0.934714 0.291854 0.119458 F\n0.051931 0.703820 0.895843 F\n0.434421 0.610630 0.172922 F\n0.994863 0.059232 0.726185 F\n",
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"created_at": "2022-09-04T14:38:04.249858Z",
"updated_at": "2022-09-04T14:38:04.249892Z",
"structure_string": "Li1 Sc1 Mo3 O8\n1.0\n2.879834 -4.988019 -0.000000\n2.879834 4.988019 0.000000\n0.000000 -0.000000 4.965391\nLi Sc Mo O\n1 1 3 8\ndirect\n0.666666 0.333332 0.303300 Li\n0.333332 0.666666 0.272822 Sc\n0.293543 0.146771 0.747873 Mo\n0.853227 0.706456 0.747873 Mo\n0.853228 0.146771 0.747873 Mo\n0.666666 0.333332 0.942987 O\n0.167659 0.335319 0.989513 O\n0.664680 0.832339 0.989513 O\n0.167659 0.832340 0.989513 O\n0.000000 0.000000 0.462976 O\n0.505980 0.011960 0.517917 O\n0.988038 0.494019 0.517917 O\n0.505980 0.494019 0.517917 O\n",
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"structure_string": "Cr1 P2 O7\n1.0\n4.993964 -0.027344 -0.721737\n0.982242 4.896490 0.721737\n-0.003716 0.004560 4.484334\nCr P O\n1 2 7\ndirect\n0.111028 0.111027 -0.000000 Cr\n0.263269 0.667040 0.590795 P\n0.667039 0.263271 0.409204 P\n0.551599 0.551601 0.499998 O\n0.149179 0.428181 0.731944 O\n0.073952 0.811559 0.291259 O\n0.332183 0.858515 0.814371 O\n0.811556 0.073952 0.708741 O\n0.858515 0.332183 0.185625 O\n0.428181 0.149180 0.268054 O\n",
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