{ "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" [ [ 1.092827049104851e-10 -5.38603554396674e-10 2.013014921006302e-09 ] [ -1.044049422755244e-09 1.719505456700143e-09 -1.143071788586126e-09 ] [ -3.992401436483309e-10 -8.792679605708947e-10 -3.093970802656997e-09 ] [ 2.425369200731205e-09 2.093718800443267e-09 1.102511565906939e-09 ] [ -4.011565872133009e-09 -6.429480946135941e-09 -3.688186868867612e-09 ] [ 1.997478774532066e-09 4.416746406038279e-09 4.927692546736055e-09 ] [ -7.41617436847849e-10 -2.431219869097381e-09 -1.524497330387781e-09 ] [ 1.664342195210674e-09 2.048601827236864e-09 1.406507756849221e-09 ] ] "source-value" [ [ 0.0682089 -0.3361699 1.2564251 ] [ -0.6516444 1.0732309 -0.7134493 ] [ -0.2491861 -0.5487959 -1.9311047 ] [ 1.5137964 1.3067965 0.6881336 ] [ -2.5038225 -4.0129664 -2.3019852 ] [ 1.2467282 2.7567163 3.0756238 ] [ -0.4628812 -1.5174481 -0.9515164 ] [ 1.0388007 1.2786367 0.8778731 ] ] } "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" -1.008120307620246e-17 "source-value" -62.921921 } }