{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.41852 0 0 ] "si-unit" "m" "si-value" [ 5.418520000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.038783 5.47951 0 ] "si-unit" "m" "si-value" [ 3.8783e-12 5.479510000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.00323821 0.0198894 5.39896 ] "si-unit" "m" "si-value" [ 3.23821e-13 1.98894e-12 5.39896e-10 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "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 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.0307547 -0.2088812 1.6505809 ] [ -0.5318121 0.941961 -0.8481707 ] [ 0.072852 -0.210964 -1.5588201 ] [ 1.1376564 1.0612799 0.5528398 ] [ -1.5237384 -2.7075745 -0.979249 ] [ -0.0099031 1.2762556 1.4998002 ] [ -0.0396654 -1.2808265 -0.6069216 ] [ 0.9253652 1.1287497 0.2899405 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.927446172567979e-11 -3.346645779218808e-10 2.64452215050669e-09 ] [ -8.520569202984714e-10 1.509187904339274e-09 -1.358919277183424e-09 ] [ 1.16721772140168e-10 -3.38001591415176e-10 -2.497505140829543e-09 ] [ 1.822726501600557e-09 1.700357857913856e-09 8.857470099052331e-10 ] [ -2.441298060808545e-09 -4.338012598714233e-09 -1.568929866667866e-09 ] [ -1.58665154241654e-11 2.04478690133165e-09 2.402944836108526e-09 ] [ -6.355097705826361e-11 -2.052110290508001e-09 -9.723956061898942e-10 ] [ 1.482598501356737e-09 1.80845639497451e-09 4.64535894350277e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.383634 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.829300825480796e-18 } }