{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.05393e-09 0.0 0.0 ] "source-value" [ 10.5393 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -5.438869999999999e-10 9.05087e-10 0.0 ] "source-value" [ -5.43887 9.05087 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.43218e-11 -1.14794e-11 1.05272e-09 ] "source-value" [ -0.143218 -0.114794 10.5272 ] } "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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0.2836169 -0.988236 7.0169828 ] [ -2.6185412 -5.1017403 1.337674 ] [ -3.3530937 6.3990474 2.2885019 ] [ 2.5938901 -0.2498839 -2.3859059 ] [ -10.9196234 6.6566452 2.4055973 ] [ -7.3933044 -1.8539186 1.6338177 ] [ 5.8088017 -1.7860302 2.5453907 ] [ -0.9768293 1.8280415 7.5365534 ] [ 1.1809379 -2.3432718 -0.8701587 ] [ 1.9711112 -1.2157455 2.0721295 ] [ -1.6947769 -1.110263 -0.9562293 ] [ 4.588854 -0.665106 -4.4077831 ] [ 1.0499839 -5.0963791 -0.1903865 ] [ -4.8345176 -0.3449285 0.0530341 ] [ -2.984593 -0.9178761 -2.4878022 ] [ -9.3602453 -3.4836651 -8.9483119 ] [ -4.4354534 -4.521368 -1.4327923 ] [ -4.361513 -1.891309 6.6673636 ] [ -3.5422532 -2.1817827 -2.2325743 ] [ -3.6346549 3.0475386 -5.3556229 ] [ -0.584287 9.2515635 -4.5007499 ] [ -4.038004 3.8596298 4.7527618 ] [ -8.6121888 1.6538285 -1.6033703 ] [ 2.5912191 -2.3375593 -3.5896852 ] [ 1.1742787 2.3411772 2.2423252 ] [ 4.4170843 0.0737766 -1.4324184 ] [ 2.3199396 -5.6507131 0.0169833 ] [ -4.1599688 -6.4556014 -1.3037549 ] [ 2.8732593 -4.8486597 4.6925918 ] [ 1.0718336 -2.0689188 -4.429683 ] [ 0.8281781 -1.462529 5.7290803 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 4.94125e-12 -1.32091e-11 -1.11737e-11 ] [ -1.84353e-11 4.30984e-13 2.1810200000000002e-10 ] [ -1.1482000000000001e-11 3.8029400000000006e-11 5.25782e-10 ] [ -2.44788e-11 1.40152e-12 7.75205e-10 ] [ -1.34009e-10 2.2554699999999999e-10 9.20874e-13 ] [ -1.26592e-10 1.82964e-10 2.63403e-10 ] [ -1.6022000000000002e-10 2.11686e-10 4.861060000000001e-10 ] [ -1.6679600000000003e-10 2.1917900000000003e-10 8.112510000000001e-10 ] [ -2.4686e-10 4.6549500000000006e-10 -3.9812500000000003e-13 ] [ -2.7623700000000005e-10 4.7379e-10 2.1480500000000001e-10 ] [ -2.48563e-10 4.61278e-10 5.50478e-10 ] [ -2.70397e-10 4.5148000000000003e-10 8.08626e-10 ] [ -3.98412e-10 6.86221e-10 -4.28531e-12 ] [ -3.96331e-10 6.85194e-10 2.77309e-10 ] [ -4.2696e-10 6.9471e-10 5.55519e-10 ] [ -4.05263e-10 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