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{
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{
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{
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"structure_string": "Ba1 Be1 O1\n1.0\n4.418318 -0.000000 0.000000\n0.000000 4.418318 0.000000\n0.000000 -0.000000 7.165863\nBa Be O\n1 1 1\ndirect\n0.000000 0.000000 0.304993 Ba\n0.000000 0.000000 0.787581 Be\n0.000000 0.000000 -0.015879 O\n",
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{
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"structure_string": "Na6 B12 H30 O36\n1.0\n5.580659 3.221994 6.984681\n-5.580659 3.221994 6.984681\n0.000000 -6.443989 6.984681\nNa B H O\n6 12 30 36\ndirect\n0.500000 0.167410 0.832590 Na\n0.832589 0.500000 0.167411 Na\n0.167410 0.832590 0.500000 Na\n0.500000 0.500000 0.500000 Na\n0.917889 0.917889 0.917891 Na\n0.082110 0.082110 0.082110 Na\n0.525857 0.106659 0.230745 B\n0.230745 0.525856 0.106660 B\n0.769254 0.893340 0.474144 B\n0.893340 0.474143 0.769256 B\n0.474143 0.769255 0.893341 B\n0.106659 0.230745 0.525857 B\n0.118021 0.480580 0.550055 B\n0.550054 0.118021 0.480580 B\n0.881978 0.449945 0.519421 B\n0.449945 0.519420 0.881979 B\n0.519420 0.881978 0.449946 B\n0.480579 0.550054 0.118022 B\n0.237869 0.351192 0.941501 H\n0.830467 0.168877 0.681029 H\n0.681028 0.830467 0.168878 H\n0.168877 0.681028 0.830468 H\n0.318971 0.831122 0.169533 H\n0.831122 0.169532 0.318972 H\n0.843562 0.263382 0.981133 H\n0.263382 0.981132 0.843563 H\n0.736618 0.156437 0.018868 H\n0.156437 0.018868 0.736618 H\n0.018867 0.736618 0.156438 H\n0.941501 0.237869 0.351192 H\n0.981132 0.843562 0.263383 H\n0.351192 0.941501 0.237870 H\n0.169533 0.318971 0.831122 H\n0.648808 0.762130 0.058500 H\n0.058499 0.648808 0.762131 H\n0.431084 0.731921 0.621573 H\n0.621572 0.431084 0.731922 H\n0.731921 0.621572 0.431085 H\n0.378427 0.268079 0.568916 H\n0.568916 0.378427 0.268079 H\n0.268079 0.568916 0.378428 H\n0.714230 0.474460 0.945559 H\n0.945558 0.714230 0.474461 H\n0.285769 0.054442 0.525539 H\n0.054442 0.525539 0.285769 H\n0.525539 0.285769 0.054442 H\n0.762130 0.058499 0.648808 H\n0.474460 0.945558 0.714232 H\n0.233352 0.567156 0.488730 O\n0.174279 0.079109 0.523318 O\n0.567156 0.488729 0.233353 O\n0.476681 0.920890 0.825722 O\n0.825721 0.476681 0.920891 O\n0.920890 0.825721 0.476682 O\n0.079109 0.523318 0.174279 O\n0.222067 0.265405 0.914133 O\n0.777932 0.085867 0.734596 O\n0.734595 0.777932 0.085868 O\n0.085867 0.734595 0.777933 O\n0.265404 0.914132 0.222068 O\n0.914132 0.222067 0.265405 O\n0.488729 0.233352 0.567156 O\n-0.000000 0.844571 0.155429 O\n0.523318 0.174279 0.079110 O\n0.766647 0.511270 0.432845 O\n0.814278 0.449995 0.683944 O\n0.432844 0.766647 0.511271 O\n0.155428 -0.000000 0.844572 O\n-0.000000 0.539615 0.460386 O\n0.460385 -0.000000 0.539615 O\n0.539614 0.460385 0.000000 O\n0.711905 0.041067 0.491459 O\n0.491458 0.711905 0.041068 O\n0.041068 0.491458 0.711905 O\n0.508541 0.958932 0.288096 O\n0.958932 0.288095 0.508542 O\n0.288095 0.508541 0.958933 O\n0.449995 0.683943 0.814279 O\n0.683943 0.814278 0.449996 O\n0.185722 0.316057 0.550005 O\n0.316056 0.550004 0.185722 O\n0.550004 0.185722 0.316057 O\n0.511270 0.432844 0.766648 O\n0.844571 0.155428 0.000000 O\n",
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"structure_string": "Si6 H2\n1.0\n-1.940327 -3.360744 0.000000\n1.940334 -3.360748 0.000030\n0.000087 -2.240546 11.275275\nSi H\n6 2\ndirect\n0.415966 0.415912 0.752157 Si\n0.584036 0.584088 0.247842 Si\n0.345243 0.345239 0.964276 Si\n0.654759 0.654760 0.035723 Si\n0.771987 0.771945 0.684084 Si\n0.228015 0.228054 0.315916 Si\n0.816470 0.816541 0.550520 H\n0.183532 0.183458 0.449479 H\n",
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{
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