{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.418520000000001e-10 0.0 0.0 ] "source-value" [ 5.41852 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 3.8783e-12 5.479510000000001e-10 0.0 ] "source-value" [ 0.038783 5.47951 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 3.23821e-13 1.98894e-12 5.39896e-10 ] "source-value" [ 0.00323821 0.0198894 5.39896 ] } "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" [ [ 1.767037390727078e-10 -9.038230796789376e-11 8.168324193996153e-10 ] [ -4.919991204155194e-10 -1.996134227911892e-10 -5.458003715596454e-10 ] [ 9.020430614532288e-11 1.490668332345562e-10 -6.877213368477715e-10 ] [ 6.558804797743028e-10 2.867444337424934e-10 -3.267728940012365e-10 ] [ -2.892130674798221e-10 -7.618138344590054e-10 -2.005958774950637e-10 ] [ -1.88906557087369e-10 5.025295864733894e-10 9.952504874565792e-10 ] [ -2.321451384235469e-10 -2.167810657183853e-10 4.073373840721921e-12 ] [ 2.794751981962618e-10 3.302497774860346e-10 -5.526580079319937e-11 ] ] "source-value" [ [ 0.1102898 -0.0564122 0.5098267 ] [ -0.3070817 -0.1245889 -0.3406618 ] [ 0.0563011 0.0930402 -0.4292419 ] [ 0.4093684 0.1789718 -0.2039556 ] [ -0.1805126 -0.4754868 -0.1252021 ] [ -0.1179062 0.3136543 0.6211865 ] [ -0.1448936 -0.1353041 0.0025424 ] [ 0.1744347 0.2061257 -0.0344942 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -1.36142e-12 -2.97439e-12 -1.41562e-11 ] [ 1.34075e-10 1.30471e-10 1.3715e-10 ] [ -2.80615e-12 2.73239e-10 2.73273e-10 ] [ 1.33689e-10 4.08129e-10 3.93514e-10 ] [ 2.80172e-10 1.57681e-11 2.72105e-10 ] [ 4.07194e-10 1.39009e-10 4.01929e-10 ] [ 2.65272e-10 2.79754e-10 1.44035e-12 ] [ 4.02421e-10 4.072440000000001e-10 1.32124e-10 ] ] "source-value" [ [ -0.0136142 -0.0297439 -0.141562 ] [ 1.34075 1.30471 1.3715 ] [ -0.0280615 2.73239 2.73273 ] [ 1.33689 4.08129 3.93514 ] [ 2.80172 0.157681 2.72105 ] [ 4.07194 1.39009 4.01929 ] [ 2.65272 2.79754 0.0144035 ] [ 4.02421 4.07244 1.32124 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 2.421020252511706e-17 "source-value" 151.1082 } }