{ "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" [ 5.43593 0 0 ] "si-unit" "m" "si-value" [ 5.43593e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00214695 5.43123 0 ] "si-unit" "m" "si-value" [ 2.14695e-13 5.43123e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0452237 0.0446124 5.47348 ] "si-unit" "m" "si-value" [ -4.52237e-12 4.461240000000001e-12 5.473480000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0488145 -0.0723712 0.108622 ] [ 1.36095 1.35641 1.2952 ] [ -0.00863748 2.68477 2.74572 ] [ 1.30162 4.04466 3.93872 ] [ 2.7765 -0.0432881 2.8136 ] [ 4.0674 1.36091 4.19847 ] [ 2.70508 2.80909 0.166723 ] [ 4.1715 4.08924 1.48814 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.88145e-12 -7.23712e-12 1.08622e-11 ] [ 1.36095e-10 1.35641e-10 1.2952e-10 ] [ -8.63748e-13 2.68477e-10 2.74572e-10 ] [ 1.30162e-10 4.044660000000001e-10 3.93872e-10 ] [ 2.7765e-10 -4.328810000000001e-12 2.8136e-10 ] [ 4.0674e-10 1.36091e-10 4.19847e-10 ] [ 2.70508e-10 2.80909e-10 1.66723e-11 ] [ 4.1715e-10 4.089240000000001e-10 1.48814e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.5158791 0.3519875 -1.7328238 ] [ 0.0642089 -0.6267255 1.8393664 ] [ -0.0250104 -1.3642311 -0.0288144 ] [ 0.5816974 0.7114592 3.1649165 ] [ -0.6069222 1.1355176 -0.8049262 ] [ -0.4936572 0.6412033 0.0544726 ] [ 0.4249807 -0.4324655 -2.1377564 ] [ -1.4611763 -0.4167455 -0.3544347 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.428706073988949e-09 5.639461479600749e-10 -2.776289803199089e-09 ] [ 1.028739992748426e-10 -1.004124952031967e-09 2.946989867444697e-09 ] [ -4.00710784869936e-11 -2.185739191796117e-09 -4.616575840272959e-11 ] [ 9.319819823385515e-10 1.139883306284333e-09 5.07075526486106e-09 ] [ -9.723965674958746e-10 1.819299766215758e-09 -1.289633949734411e-09 ] [ -7.909260310458647e-10 1.027320944903692e-09 8.72747269132284e-11 ] [ 6.808941474409637e-10 -6.92886119111127e-10 -3.425063353263957e-09 ] [ -2.341062526014574e-09 -6.676999024246469e-10 -5.678669946187997e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.128016 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.788346306797815e-18 } }