{ "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" [ [ 0.3777359 -0.3532392 1.7704198 ] [ -1.2591726 -0.5453696 -1.1965943 ] [ 0.1230933 0.1965325 -1.542236 ] [ 1.689068 0.7416235 -1.1262507 ] [ -0.4110085 -1.6273883 -0.2117372 ] [ -0.5354568 1.3427178 2.3857761 ] [ -0.6634209 -0.6173318 -0.0293678 ] [ 0.6791615 0.862455 -0.0500098 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.051996278168468e-10 -5.659515877900953e-10 2.836525212561412e-09 ] [ -2.01741690127195e-09 -8.737784228150477e-10 -1.917155412042542e-09 ] [ 1.972172074371206e-10 3.14879776727376e-10 -2.470934462956109e-09 ] [ 2.706185260541414e-09 1.188211833135869e-09 -1.804452540699635e-09 ] [ -6.585082096500768e-10 -2.607363487223457e-09 -3.392403915936538e-10 ] [ -8.578963664083814e-10 2.15127106749201e-09 3.822434689883403e-09 ] [ -1.062917455730095e-09 -9.890745772363814e-10 -4.705240256433024e-11 ] [ 1.088136677047459e-09 1.381805237492064e-09 -8.012453237088383e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -218.74071 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.504612515791928e-17 } }