{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.449760000000001e-10 0.0 0.0 ] "source-value" [ 5.44976 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -3.55309e-12 5.38277e-10 0.0 ] "source-value" [ -0.0355309 5.38277 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.055e-12 1.48675e-11 5.46244e-10 ] "source-value" [ 0.05055 0.148675 5.46244 ] } "species" { "source-value" [ "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" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 2.014900522671322e-09 1.909124341513119e-09 -7.3382739776926e-09 ] [ 1.818214116348672e-10 -4.34347999069273e-10 6.713892931153874e-09 ] [ 1.895294352922374e-09 -2.726604040267538e-09 2.787427471322969e-09 ] [ -4.112747811831067e-09 -4.010134968192972e-09 5.089054803793954e-09 ] [ 3.960426317009017e-09 4.959202073684342e-09 -5.234647317026306e-09 ] [ 1.0389637937255e-09 -1.321428493278513e-09 -2.889048247197464e-09 ] [ 1.573070358782913e-09 3.460523819540753e-09 -1.802421621615108e-09 ] [ -6.551728944914926e-09 -1.83633473392992e-09 2.674016117478344e-09 ] ] "source-value" [ [ 1.257602 1.1915817 -4.5801904 ] [ 0.113484 -0.2710987 4.1904824 ] [ 1.1829497 -1.7018124 1.7397754 ] [ -2.5669753 -2.5029294 3.1763382 ] [ 2.4719037 3.0952905 -3.2672099 ] [ 0.6484702 -0.8247708 -1.8032021 ] [ 0.9818333 2.1598891 -1.1249831 ] [ -4.0892676 -1.14615 1.6689896 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 3.26933e-12 -2.89977e-12 1.41129e-11 ] [ 1.38935e-10 1.3881e-10 1.19735e-10 ] [ 1.27821e-12 2.83796e-10 2.59214e-10 ] [ 1.40644e-10 4.238000000000001e-10 3.96398e-10 ] [ 2.76811e-10 5.11022e-12 2.830360000000001e-10 ] [ 4.1335e-10 1.52222e-10 4.23862e-10 ] [ 2.69114e-10 2.71897e-10 2.78438e-14 ] [ 4.17588e-10 4.12802e-10 1.32379e-10 ] ] "source-value" [ [ 0.0326933 -0.0289977 0.141129 ] [ 1.38935 1.3881 1.19735 ] [ 0.0127821 2.83796 2.59214 ] [ 1.40644 4.238 3.96398 ] [ 2.76811 0.0511022 2.83036 ] [ 4.1335 1.52222 4.23862 ] [ 2.69114 2.71897 0.000278438 ] [ 4.17588 4.12802 1.32379 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.632768981175657e-18 "source-value" -35.156979 } }