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{
"id": "jvasp-29731",
"created_at": "2022-09-04T14:36:44.440657Z",
"updated_at": "2022-09-04T14:36:44.440684Z",
"structure_string": "Zn2 B4 H16\n1.0\n4.265517 0.000000 0.000000\n0.000000 5.184536 0.000000\n0.000000 0.000000 8.172818\nZn B H\n2 4 16\ndirect\n0.000000 0.287479 0.009592 Zn\n0.000000 0.712522 0.509592 Zn\n0.500000 0.930359 0.472718 B\n0.000000 0.542123 0.246103 B\n0.000000 0.457878 0.746103 B\n0.500000 0.069641 0.972718 B\n0.720946 0.971820 0.570515 H\n0.000000 0.584931 0.875742 H\n0.500000 0.709404 0.420415 H\n0.500000 0.914615 0.863252 H\n0.247082 0.513238 0.677937 H\n0.500000 0.085385 0.363252 H\n0.000000 0.777058 0.256324 H\n0.000000 0.415070 0.375742 H\n0.247082 0.486763 0.177937 H\n0.279055 0.971820 0.570515 H\n0.000000 0.222942 0.756324 H\n0.752919 0.486763 0.177937 H\n0.720946 0.028181 0.070515 H\n0.500000 0.290597 0.920416 H\n0.279055 0.028181 0.070515 H\n0.752919 0.513238 0.677937 H\n",
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{
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"structure_string": "Ca1 Mg7\n1.0\n6.650862 -0.000000 -0.000000\n-3.325432 5.759815 -0.000000\n-0.000000 0.000000 5.215014\nCa Mg\n1 7\ndirect\n0.166667 0.333333 0.250000 Ca\n0.173510 0.836755 0.250000 Mg\n0.663246 0.326491 0.250000 Mg\n0.663246 0.836755 0.250000 Mg\n0.337817 0.162183 0.749999 Mg\n0.337817 0.675635 0.749999 Mg\n0.824365 0.162183 0.749999 Mg\n0.833333 0.666668 0.749999 Mg\n",
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{
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"structure_string": "H8 N4 O6\n1.0\n5.631960 0.000000 0.000000\n0.000000 5.631960 -0.000000\n0.000000 -0.000000 4.796700\nH N O\n8 4 6\ndirect\n0.527958 0.647698 0.374278 H\n0.972042 0.147698 0.625722 H\n0.472042 0.352302 0.374278 H\n0.027958 0.852302 0.625722 H\n0.647698 0.472042 0.625722 H\n0.852302 0.972042 0.374278 H\n0.352302 0.527958 0.625722 H\n0.147698 0.027958 0.374278 H\n0.500000 0.000000 0.963240 N\n0.000000 0.500000 0.036760 N\n0.500000 0.500000 0.500000 N\n0.000000 0.000000 0.500000 N\n0.638642 0.861358 0.095488 O\n0.000000 0.500000 0.298311 O\n0.500000 0.000000 0.701689 O\n0.361358 0.138642 0.095488 O\n0.138642 0.638642 0.904512 O\n0.861358 0.361358 0.904512 O\n",
"nsites": 18,
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{
"id": "jvasp-74985",
"created_at": "2022-09-04T14:35:49.525418Z",
"updated_at": "2022-09-04T14:35:49.525439Z",
"structure_string": "Na1 Mg2 Be1\n1.0\n-2.383685 2.383685 3.371404\n2.383685 -2.383685 3.371404\n2.383685 2.383685 -3.371404\nNa Mg Be\n1 2 1\ndirect\n0.250000 0.750001 0.500001 Na\n0.000000 0.000000 0.000000 Mg\n0.499999 0.499999 0.000000 Mg\n0.750001 0.250000 0.500001 Be\n",
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{
"id": "jvasp-115215",
"created_at": "2022-09-04T14:38:43.686380Z",
"updated_at": "2022-09-04T14:38:43.686407Z",
"structure_string": "Li1 Si1\n1.0\n2.588428 0.000000 0.000000\n0.000000 2.588428 0.000000\n0.000000 0.000000 4.973160\nLi Si\n1 1\ndirect\n0.000000 0.000000 -0.133253 Li\n0.000000 -0.000000 0.366778 Si\n",
"nsites": 2,
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{
"id": "jvasp-104112",
"created_at": "2022-09-04T14:36:49.037603Z",
"updated_at": "2022-09-04T14:36:49.037625Z",
"structure_string": "H6 C12 S3 O1\n1.0\n4.366097 0.017554 -0.169698\n-1.953204 5.431834 -1.206549\n-0.247412 -0.084802 10.541107\nH C S O\n6 12 3 1\ndirect\n0.623971 0.722459 0.867615 H\n0.216125 0.112900 0.203052 H\n0.497561 0.449509 0.372681 H\n0.415270 0.880430 0.005887 H\n0.837872 0.545240 0.657916 H\n0.299179 0.652691 0.578726 H\n0.780691 0.815595 0.352873 C\n0.590665 0.012654 0.553987 C\n0.935585 0.761457 0.240029 C\n0.325462 0.343544 0.863869 C\n0.537574 0.176620 0.664396 C\n0.122012 0.536067 0.050687 C\n0.569679 0.647878 0.409881 C\n0.545961 0.527584 0.821629 C\n0.143070 0.913184 0.174751 C\n0.664945 0.429558 0.707821 C\n0.252074 0.786822 0.066665 C\n0.462311 0.757954 0.521479 C\n0.843959 0.116049 0.440613 S\n0.869512 0.452359 0.166434 S\n0.266770 0.052246 0.767923 S\n0.141998 0.336649 0.963949 O\n",
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{
"id": "jvasp-93320",
"created_at": "2022-09-04T14:36:05.816320Z",
"updated_at": "2022-09-04T14:36:05.816345Z",
"structure_string": "Ca1 Mg5\n1.0\n5.891068 0.000000 -0.000000\n-2.945534 5.101815 0.000000\n-0.000000 -0.000000 5.116417\nCa Mg\n1 5\ndirect\n0.000000 0.000000 0.500000 Ca\n0.000000 0.603977 0.000000 Mg\n0.603978 0.000000 0.000000 Mg\n0.396023 0.396022 0.000000 Mg\n0.666667 0.333333 0.500000 Mg\n0.333333 0.666666 0.500000 Mg\n",
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{
"id": "jvasp-7669",
"created_at": "2022-09-04T14:37:07.541012Z",
"updated_at": "2022-09-04T14:37:07.541026Z",
"structure_string": "Li2 Al2\n1.0\n3.900753 0.000000 -2.249481\n-1.297227 3.678733 -2.249481\n-0.002051 -0.002898 4.503272\nLi Al\n2 2\ndirect\n0.374999 0.624999 0.749999 Li\n0.624999 0.374999 0.249999 Li\n0.874999 0.124999 0.749999 Al\n0.124999 0.874999 0.249999 Al\n",
"nsites": 4,
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"elements": [
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{
"id": "jvasp-118686",
"created_at": "2022-09-04T14:38:53.435980Z",
"updated_at": "2022-09-04T14:38:53.436006Z",
"structure_string": "Mg2 Cl1\n1.0\n3.334323 0.000000 0.000000\n0.000000 3.349352 0.000000\n0.000000 0.000000 7.164038\nMg Cl\n2 1\ndirect\n-0.033309 0.000000 0.705996 Mg\n-0.033309 0.000000 0.294004 Mg\n0.466618 0.000000 0.000000 Cl\n",
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{
"id": "jvasp-106534",
"created_at": "2022-09-04T14:36:58.094920Z",
"updated_at": "2022-09-04T14:36:58.094949Z",
"structure_string": "K3 Ga1\n1.0\n5.625488 -0.000000 0.000000\n0.000000 5.625488 0.000000\n-0.000000 -0.000000 5.625488\nK Ga\n3 1\ndirect\n0.500000 0.000000 0.500000 K\n-0.000000 0.500000 0.500000 K\n0.500000 0.500000 -0.000000 K\n0.000000 0.000000 0.000000 Ga\n",
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{
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"created_at": "2022-09-04T14:38:53.236573Z",
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"structure_string": "Ca1 Al1 F1\n1.0\n3.392686 -0.000000 -0.000000\n-0.000000 3.392686 -0.000000\n-0.000000 0.000000 7.120021\nCa Al F\n1 1 1\ndirect\n0.000000 0.000000 0.699004 Ca\n0.000000 0.000000 0.260323 Al\n0.000000 0.000000 0.007763 F\n",
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{
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"structure_string": "Zn1 H14 C9 O4\n1.0\n4.553613 0.095437 0.552346\n2.460388 4.450586 0.845314\n0.545781 0.252527 12.058698\nZn H C O\n1 14 9 4\ndirect\n0.772006 0.889473 0.831032 Zn\n0.708999 0.012416 0.373557 H\n0.813020 0.712775 0.116463 H\n0.147622 0.657501 0.190883 H\n0.528653 0.567300 0.303935 H\n0.858759 0.529172 0.374745 H\n0.021877 -0.015127 0.450950 H\n0.498409 0.057461 0.572846 H\n0.219073 0.309576 0.000066 H\n0.567885 0.236483 0.072924 H\n0.958313 0.168263 0.184877 H\n0.289800 0.114037 0.259769 H\n0.843235 0.278321 0.617283 H\n0.552708 0.638402 0.543332 H\n0.249523 0.407797 0.487467 H\n0.359213 0.653265 0.960544 C\n0.315432 0.413549 0.045071 C\n0.064795 0.540422 0.146868 C\n0.035736 0.287040 0.230228 C\n0.505249 0.254533 0.518655 C\n0.768781 0.144833 0.418272 C\n0.580848 0.422681 0.591891 C\n0.338096 0.493711 0.696472 C\n0.785394 0.401405 0.332881 C\n0.107132 0.889882 0.914971 O\n0.407764 0.307432 0.788231 O\n0.056602 0.745472 0.688894 O\n0.661378 0.610485 0.938679 O\n",
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