{ "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" [ [ -1.612097298435994e-10 -5.373399176958489e-10 2.07971000894164e-09 ] [ -5.49877109971271e-10 1.464391514240807e-09 -9.948102093211832e-10 ] [ 4.5553886770896e-11 -4.943442263353844e-10 -2.002847187735381e-09 ] [ 1.496462924530009e-09 1.588697829324534e-09 8.110613792114937e-10 ] [ -1.981915070619953e-09 -3.571842730718613e-09 -1.293397612209306e-09 ] [ -6.988005483982656e-11 1.721994438080556e-09 1.843189646602013e-09 ] [ -1.042646877341395e-10 -1.836920329484823e-09 -7.488688882335899e-10 ] [ 1.325129841707885e-09 1.665363582806435e-09 3.059628627443136e-10 ] ] "source-value" [ [ -0.1006192 -0.3353812 1.2980529 ] [ -0.3432063 0.9140013 -0.6209117 ] [ 0.0284325 -0.3085454 -1.2500789 ] [ 0.9340187 0.9915872 0.5062247 ] [ -1.2370141 -2.2293689 -0.8072753 ] [ -0.0436157 1.0747844 1.1504285 ] [ -0.0650769 -1.1465155 -0.4674072 ] [ 0.827081 1.0394382 0.190967 ] ] } "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" -3.551642487883567e-18 "source-value" -22.167609 } }