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{
"id": "jvasp-100799",
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{
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"structure_string": "Be1 Co4 Os1\n1.0\n-0.000000 3.265283 3.265283\n3.265283 0.000000 3.265283\n3.265283 3.265283 0.000000\nBe Co Os\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.123257 0.625580 0.625580 Co\n0.625580 0.625580 0.625580 Co\n0.625580 0.123257 0.625580 Co\n0.625580 0.625580 0.123257 Co\n0.250000 0.250000 0.250000 Os\n",
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{
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"structure_string": "V2 Si4 O12\n1.0\n6.248258 0.056398 -1.664147\n-0.256161 6.243260 1.664147\n0.015051 -0.014316 5.345103\nV Si O\n2 4 12\ndirect\n0.899452 0.899452 0.250000 V\n0.100548 0.100548 0.750000 V\n0.786392 0.385208 0.247466 Si\n0.614793 0.213608 0.747465 Si\n0.385208 0.786392 0.252534 Si\n0.213608 0.614792 0.752534 Si\n0.956708 0.184627 0.366244 O\n0.815373 0.043292 0.866244 O\n0.901449 0.622869 0.223290 O\n0.043293 0.815372 0.633755 O\n0.650513 0.368329 0.952883 O\n0.349487 0.631670 0.047116 O\n0.622869 0.901449 0.276710 O\n0.368330 0.650513 0.547116 O\n0.098551 0.377131 0.776710 O\n0.184627 0.956707 0.133756 O\n0.377131 0.098551 0.723289 O\n0.631670 0.349487 0.452883 O\n",
"nsites": 18,
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{
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"structure_string": "V2 Si4 O12\n1.0\n5.344930 0.027815 0.021166\n1.613858 6.261592 0.015585\n1.620669 0.208348 6.256543\nV Si O\n2 4 12\ndirect\n0.246309 0.100412 0.398603 V\n0.746300 0.899314 0.599700 V\n0.243777 0.213450 0.884357 Si\n0.748831 0.786268 0.113947 Si\n0.248829 0.614663 0.285558 Si\n0.743775 0.385061 0.712753 Si\n0.949176 0.349296 0.867496 O\n0.043424 0.650413 0.130820 O\n0.362562 0.043141 0.683777 O\n0.272987 0.377001 0.400610 O\n0.862551 0.184492 0.542430 O\n0.130055 0.815238 0.455873 O\n0.449176 0.368202 0.848600 O\n0.630049 0.956583 0.314523 O\n0.219617 0.098407 0.122015 O\n0.543427 0.631519 0.149707 O\n0.773004 0.901306 0.876286 O\n0.719618 0.622725 0.597710 O\n",
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{
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"structure_string": "Mn1 Fe1 Co1 Ge1\n1.0\n2.852479 2.852479 0.000000\n2.852479 -0.000000 -2.852479\n0.000000 2.852479 -2.852479\nMn Fe Co Ge\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Mn\n0.750000 0.750000 0.750000 Fe\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 Ge\n",
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{
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"created_at": "2022-09-04T14:37:29.167209Z",
"updated_at": "2022-09-04T14:37:29.167230Z",
"structure_string": "Li4 Fe4 F12\n1.0\n2.882828 0.000000 0.000000\n-0.000000 5.102972 0.000000\n0.000000 0.000000 15.776995\nLi Fe F\n4 4 12\ndirect\n0.750001 0.024985 0.303242 Li\n0.250000 0.475015 0.803242 Li\n0.750001 0.524985 0.196758 Li\n0.250000 0.975015 0.696757 Li\n0.750001 0.968054 0.088564 Fe\n0.250000 0.531945 0.588564 Fe\n0.750001 0.468054 0.411436 Fe\n0.250000 0.031946 0.911436 Fe\n0.250000 0.201775 0.359843 F\n0.750001 0.298225 0.859843 F\n0.750001 0.292546 0.529224 F\n0.250000 0.330928 0.695771 F\n0.750001 0.669072 0.304228 F\n0.750001 0.792546 0.970775 F\n0.250000 0.701775 0.140156 F\n0.750001 0.798225 0.640156 F\n0.250000 0.207454 0.029225 F\n0.250000 0.830927 0.804228 F\n0.250000 0.707454 0.470775 F\n0.750001 0.169072 0.195771 F\n",
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{
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"created_at": "2022-09-04T14:37:28.239301Z",
"updated_at": "2022-09-04T14:37:28.239327Z",
"structure_string": "Mg2 Mn2 Ge4 O12\n1.0\n5.160758 -0.235039 0.900311\n1.045920 6.601814 0.573197\n-0.327658 -0.088912 6.700088\nMg Mn Ge O\n2 2 4 12\ndirect\n0.750000 0.272505 0.727495 Mg\n0.250000 0.727495 0.272505 Mg\n0.750000 0.906036 0.093964 Mn\n0.250000 0.093964 0.906037 Mn\n0.787453 0.396634 0.207826 Ge\n0.712548 0.792173 0.603366 Ge\n0.212548 0.603366 0.792174 Ge\n0.287452 0.207826 0.396634 Ge\n0.638363 0.976992 0.785503 O\n0.861637 0.214498 0.023007 O\n0.611087 0.624066 0.146132 O\n0.888913 0.853868 0.375934 O\n0.388913 0.375934 0.853869 O\n0.899422 0.567553 0.709637 O\n0.100578 0.432447 0.290364 O\n0.399422 0.709636 0.567554 O\n0.138363 0.785502 0.976993 O\n0.600578 0.290363 0.432447 O\n0.111087 0.146132 0.624066 O\n0.361637 0.023007 0.214498 O\n",
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{
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"structure_string": "Mg2 Mn2 Ge4 O12\n1.0\n5.160757 -0.235039 0.900311\n1.045920 6.601814 0.573197\n-0.327658 -0.088912 6.700089\nMg Mn Ge O\n2 2 4 12\ndirect\n0.750000 0.272505 0.727495 Mg\n0.250000 0.727495 0.272505 Mg\n0.750001 0.906036 0.093964 Mn\n0.250000 0.093964 0.906037 Mn\n0.787453 0.396634 0.207826 Ge\n0.712548 0.792173 0.603366 Ge\n0.212548 0.603366 0.792174 Ge\n0.287452 0.207826 0.396634 Ge\n0.638363 0.976992 0.785503 O\n0.861637 0.214498 0.023007 O\n0.611087 0.624066 0.146132 O\n0.888913 0.853868 0.375934 O\n0.388913 0.375934 0.853869 O\n0.899422 0.567553 0.709637 O\n0.100578 0.432447 0.290364 O\n0.399422 0.709636 0.567554 O\n0.138363 0.785502 0.976993 O\n0.600578 0.290363 0.432447 O\n0.111087 0.146132 0.624066 O\n0.361637 0.023007 0.214498 O\n",
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"structure_string": "Zr1 Nb1 N2\n1.0\n3.083054 0.008126 4.578132\n1.403827 2.744915 4.578132\n0.013244 0.008126 5.519452\nZr Nb N\n1 1 2\ndirect\n0.499999 0.500001 0.500000 Zr\n0.000000 0.000000 0.000000 Nb\n0.249668 0.249669 0.249668 N\n0.750330 0.750332 0.750331 N\n",
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{
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{
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"created_at": "2022-09-04T14:38:02.544676Z",
"updated_at": "2022-09-04T14:38:02.544693Z",
"structure_string": "Li2 Cr5 Si4 O14\n1.0\n5.586271 -0.002785 0.002059\n-2.047790 7.227802 0.011386\n-0.130092 -3.363250 7.180166\nLi Cr Si O\n2 5 4 14\ndirect\n0.230289 0.107856 0.450076 Li\n0.769711 0.892145 0.549926 Li\n0.000000 0.000000 0.000000 Cr\n0.076434 0.383870 0.810374 Cr\n0.664681 0.574772 0.710238 Cr\n0.335320 0.425229 0.289764 Cr\n0.923566 0.616131 0.189628 Cr\n0.506763 0.774081 0.143591 Si\n0.205690 0.790239 0.602859 Si\n0.794311 0.209762 0.397142 Si\n0.493237 0.225919 0.856410 Si\n0.465491 0.983696 0.723823 O\n0.597363 0.672507 0.276228 O\n0.971664 0.812859 0.730240 O\n0.294295 0.588375 0.552599 O\n0.695825 0.770841 0.986078 O\n0.304175 0.229160 0.013923 O\n0.781813 0.355740 0.954794 O\n0.028337 0.187142 0.269761 O\n0.402637 0.327494 0.723774 O\n0.534510 0.016305 0.276178 O\n0.218188 0.644261 0.045207 O\n0.884525 0.167720 0.571593 O\n0.705705 0.411626 0.447402 O\n0.115475 0.832281 0.428408 O\n",
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]
}