{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.03266e-09 0.0 0.0 ] "source-value" [ 10.3266 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -5.46418e-10 9.071630000000001e-10 0.0 ] "source-value" [ -5.46418 9.07163 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.00466e-11 -1.99298e-12 1.00183e-09 ] "source-value" [ -0.100466 -0.0199298 10.0183 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" 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2.3647717 ] [ 1.259401 -0.3837135 -2.6125542 ] [ 3.6262868 -3.121465 -23.201319 ] [ 2.8771646 -0.6138451 26.0543458 ] [ -0.2547442 0.4957489 -0.0031073 ] [ 5.1969289 2.9916865 -0.4669243 ] [ -0.0184038 4.7351695 -21.6305105 ] [ -1.2367281 0.7379609 16.9821742 ] [ 0.326552 -0.7394177 -2.1665011 ] [ -0.5540238 1.1716956 2.168873 ] [ 3.108931 -0.6235749 -7.9429936 ] [ 2.8825353 1.2808512 30.538668 ] [ 0.4118995 -0.1721887 -0.6469769 ] [ 0.448475 -0.4495383 1.3447813 ] [ -1.410465 2.6242578 -32.1291486 ] [ -0.242435 3.3193625 1.9129873 ] [ 0.2517984 1.7433465 0.1069325 ] [ 0.0301718 0.8997104 -0.4465728 ] [ 1.4079739 2.2663103 -3.0052042 ] [ 3.8529856 2.0789571 2.7020021 ] [ -0.1405703 -0.6180328 -0.4031391 ] [ 1.3854332 -2.3046716 -1.8202444 ] [ 3.8267605 0.772409 0.6099038 ] [ 4.8097599 0.5481721 8.7603826 ] [ -0.74196 -0.9807741 -1.638482 ] [ -7.3978434 2.358394 0.5821558 ] [ 5.890407 -0.4374698 -9.5623653 ] [ 1.1748925 0.4860558 0.9840696 ] [ 1.169726 0.9446876 -0.2590624 ] [ -1.1680313 -0.0533432 -1.0482508 ] [ 1.583455 -0.6822774 -1.7219906 ] [ 1.9618502 2.3275467 6.1360077 ] [ 0.2315559 0.2832593 -0.6920721 ] [ -0.7998494 -0.6752172 0.0973998 ] [ -0.1357471 2.1444693 -5.2827792 ] [ -3.1825689 -2.8150299 15.5641913 ] [ 1.0041119 -1.5440644 0.6246613 ] [ -1.8940626 0.5917434 -0.5802511 ] [ -2.9220922 -2.8997295 -13.3498702 ] [ -2.0140544 -0.5757634 -0.2629213 ] [ -1.0870771 0.5913792 1.1944241 ] [ 8.4245705 1.7034878 0.5335233 ] [ -2.2823478 -0.8365891 -0.7612157 ] [ -2.4311603 1.5777557 3.6699973 ] [ -1.430655 0.7036455 -0.0754225 ] [ 0.5384674 -2.8467494 -12.4139045 ] [ -3.780047 1.7484127 7.7442202 ] [ -2.8012332 -1.7324327 2.8533812 ] [ -0.1231999 -3.2852377 -9.8498683 ] [ -0.2506639 -4.6634164 5.4267857 ] [ -5.1235863 -6.1489763 -4.143801 ] [ -1.6757674 -2.9732546 5.6112111 ] [ -1.4300639 0.1812131 -2.2097751 ] [ -7.0099511 1.5595842 -5.6686884 ] [ -1.8898682 -4.3974424 -3.036867 ] [ 0.0066852 -2.6013604 28.9166316 ] [ 0.4777466 -0.6907611 0.8321748 ] [ -1.0829402 0.0503671 -4.536016 ] [ -3.6170891 3.943606 -28.5147752 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 7.79513e-12 1.89385e-11 1.81226e-11 ] [ -5.714190000000001e-12 1.84695e-12 2.66513e-10 ] [ -9.26515e-12 -4.311220000000001e-12 4.80401e-10 ] [ -1.23731e-11 6.85428e-13 7.75749e-10 ] [ -1.38977e-10 2.19543e-10 -3.65932e-11 ] [ -1.3734900000000001e-10 2.27203e-10 2.5969699999999997e-10 ] [ -1.40342e-10 2.26383e-10 5.12911e-10 ] [ -1.50591e-10 2.32681e-10 7.790070000000001e-10 ] [ -2.4512600000000003e-10 4.36314e-10 -2.3005800000000002e-11 ] [ -2.62147e-10 4.44532e-10 2.61212e-10 ] [ -2.7461700000000006e-10 4.5467199999999996e-10 5.268360000000001e-10 ] [ -2.7987700000000005e-10 4.62104e-10 7.93943e-10 ] [ -4.02377e-10 6.860350000000001e-10 -3.5710599999999996e-11 ] [ -4.02656e-10 6.82079e-10 2.7766000000000005e-10 ] [ -3.87725e-10 6.73954e-10 4.85516e-10 ] [ -4.01886e-10 6.73891e-10 7.59605e-10 ] [ 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7.806470000000001e-10 ] [ 3.8922000000000003e-10 1.9626200000000002e-10 -6.55306e-12 ] [ 3.84639e-10 2.27134e-10 2.66975e-10 ] [ 3.92287e-10 2.5935700000000005e-10 5.050670000000001e-10 ] [ 3.83261e-10 2.33167e-10 7.91653e-10 ] [ 2.61656e-10 4.6132e-10 -2.8943000000000002e-11 ] [ 2.33757e-10 4.80677e-10 2.6760600000000004e-10 ] [ 2.4837600000000004e-10 4.5772199999999996e-10 5.21093e-10 ] [ 2.50842e-10 4.5919299999999997e-10 7.85151e-10 ] [ 9.98103e-11 7.061960000000001e-10 8.10863e-12 ] [ 1.41073e-10 6.86877e-10 2.3328000000000005e-10 ] [ 8.440980000000001e-11 6.60999e-10 5.10135e-10 ] [ 1.3531200000000001e-10 6.95955e-10 7.62211e-10 ] [ 7.94116e-10 -4.77541e-12 1.10086e-11 ] [ 8.01219e-10 -1.18982e-11 2.63786e-10 ] [ 7.99147e-10 -2.38257e-11 5.58103e-10 ] [ 7.777540000000001e-10 2.43694e-11 7.42208e-10 ] [ 6.58925e-10 2.3600800000000003e-10 2.8228500000000002e-11 ] [ 6.54864e-10 2.2621400000000002e-10 3.15629e-10 ] [ 6.5125e-10 2.70174e-10 5.05537e-10 ] [ 6.582290000000001e-10 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7.42208 ] [ 6.58925 2.36008 0.282285 ] [ 6.54864 2.26214 3.15629 ] [ 6.5125 2.70174 5.05537 ] [ 6.58229 2.41464 7.90951 ] [ 5.19212 4.52418 0.138194 ] [ 5.16726 4.63222 3.11064 ] [ 5.4806 4.46265 5.57399 ] [ 4.92052 4.63093 7.62948 ] [ 3.9239 6.6838 -0.0487774 ] [ 3.78667 6.77732 2.60113 ] [ 3.80215 6.83963 5.60231 ] [ 3.79108 6.88965 8.23077 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.641953819427159e-17 "source-value" -227.31288 } }