{ "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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-3.5317111 ] [ -0.722796 -0.1059724 2.7163886 ] [ -2.0541909 -0.2662611 3.0233748 ] [ -0.0851917 3.9326043 -0.4044542 ] [ 2.8671362 -1.8899559 -1.1132117 ] [ -3.5962357 1.6049483 0.4503554 ] [ -1.3678207 -0.8652676 1.0981093 ] [ 3.8719103 -2.5910862 -0.6660197 ] [ -0.5348324 0.93808 -1.2038627 ] [ 0.6430514 -1.0490922 1.3266556 ] [ -0.3463747 -1.1978478 -1.2659343 ] [ -0.6695877 -0.4882903 2.2219694 ] [ 3.0090441 -0.3536942 -1.2734549 ] [ 0.7274488 -2.1387571 -0.1512655 ] [ -2.6907655 -0.9500006 -1.538586 ] [ -1.2716221 -0.2072287 1.4769994 ] [ -0.9430142 -0.7660846 -4.9096927 ] [ -3.6704883 -0.4162645 1.1226878 ] [ -3.1080301 -1.8782699 1.6059218 ] [ -1.7261455 -0.6481477 2.1492894 ] [ -2.1505055 2.5712005 -3.3241769 ] [ 1.1081802 3.5968186 -0.2830644 ] [ -1.9822797 2.3251207 3.1784607 ] [ -6.691636 1.0245154 1.4679741 ] [ 0.7998927 -2.0903607 -1.7483458 ] [ 0.3460748 0.3566102 0.2596768 ] [ 1.5379202 -0.7598215 -1.3485679 ] [ 0.1342887 -3.8418389 1.9638961 ] [ -0.1984792 -0.9785086 -1.503262 ] [ 2.3356146 -5.3675064 1.2784171 ] [ 1.960519 -1.5995269 -0.4546843 ] [ 0.0669381 -0.119101 2.9713744 ] ] } "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 ] [ 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