{ "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" [ 5.44972 0 0 ] "si-unit" "m" "si-value" [ 5.44972e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0609808 5.45304 0 ] "si-unit" "m" "si-value" [ -6.09808e-12 5.45304e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0674249 -0.145247 5.63878 ] "si-unit" "m" "si-value" [ -6.742489999999999e-12 -1.45247e-11 5.63878e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00897115 -0.00389651 -0.0378043 ] [ 1.32076 1.2724 1.76049 ] [ 0.246678 2.71711 2.69984 ] [ 1.36622 4.37217 4.08545 ] [ 2.70002 -0.0778066 3.30264 ] [ 4.02111 1.29847 4.36135 ] [ 2.82584 3.00896 0.436415 ] [ 4.07612 3.84466 1.60166 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -8.971150000000001e-13 -3.89651e-13 -3.78043e-12 ] [ 1.32076e-10 1.2724e-10 1.76049e-10 ] [ 2.46678e-11 2.71711e-10 2.69984e-10 ] [ 1.36622e-10 4.37217e-10 4.08545e-10 ] [ 2.70002e-10 -7.780660000000001e-12 3.30264e-10 ] [ 4.02111e-10 1.29847e-10 4.36135e-10 ] [ 2.82584e-10 3.00896e-10 4.36415e-11 ] [ 4.076120000000001e-10 3.84466e-10 1.60166e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.14775530000000003 0.25241070000000004 2.2771275000000006 ] [ 2.8871180000000005 -2.7246673000000006 -3.710407200000001 ] [ -2.8883787000000005 1.7051923000000004 4.002244800000001 ] [ -6.462211100000002 -7.578121800000002 6.216734700000002 ] [ 6.336279000000002 4.144329900000001 -7.843478300000002 ] [ 1.8331300000000004 3.038668000000001 1.6006842000000003 ] [ -5.365010900000001 -4.792817000000001 -5.892739800000001 ] [ 3.806829000000001 5.955005200000001 3.3498341000000007 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.367300872592903e-10 4.044065223797626e-10 3.648360443080753e-09 ] [ 4.625672961090855e-09 -4.365398247518261e-09 -5.944727669487991e-09 ] [ -4.627692825156698e-09 2.732019237028181e-09 6.412303049278373e-09 ] [ -1.035360354309425e-08 -1.214148957753482e-08 9.960306994056105e-09 ] [ 1.015183807666601e-08 6.639948474662404e-09 -1.256663755801213e-08 ] [ 2.936998028887105e-09 4.868482827973096e-09 2.564578802523952e-09 ] [ -8.595695034317168e-09 -7.678939345172796e-09 -9.44120994001767e-09 ] [ 6.099212423183444e-09 9.54097010818243e-09 5.367025878578611e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -29.108296 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.663663132252616e-18 } }