{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.39143e-10 0.0 0.0 ] "source-value" [ 5.39143 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.44963e-11 5.178410000000001e-10 0.0 ] "source-value" [ 0.144963 5.17841 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.44779e-11 4.21312e-11 5.38784e-10 ] "source-value" [ -0.144779 0.421312 5.38784 ] } "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" [ [ 6.25329759402967e-09 -1.00562605507875e-08 2.559897883308622e-09 ] [ -2.920773106683587e-09 6.211779269731245e-09 9.842294669609526e-09 ] [ 1.108519616082575e-08 2.192455337964998e-10 -4.343220277862498e-09 ] [ -3.65823978455993e-09 -2.30994118717398e-09 -2.974637483586572e-09 ] [ 2.269150251061398e-09 3.401453650361465e-09 -1.140744146391427e-09 ] [ -1.445010079789587e-08 1.464138562595915e-08 -2.257032268298808e-08 ] [ 1.035270696505725e-08 2.965076494601948e-09 5.81097059517115e-09 ] [ -8.931237121617029e-09 -1.507273867627116e-08 1.281576144273928e-08 ] ] "source-value" [ [ 3.9030014 -6.2766242 1.5977626 ] [ -1.8230032 3.8770877 6.1430772 ] [ 6.9188353 0.1368423 -2.7108249 ] [ -2.2832937 -1.4417519 -1.8566227 ] [ 1.4162922 2.1230204 -0.7119965 ] [ -9.0190436 9.1384342 -14.0872875 ] [ 6.4616515 1.8506552 3.6269226 ] [ -5.5744398 -9.4076636 7.9989692 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.5223e-11 6.929040000000001e-12 -4.288980000000001e-13 ] [ 1.42734e-10 1.24068e-10 1.17973e-10 ] [ -3.32931e-11 2.76994e-10 2.80275e-10 ] [ 1.2591e-10 4.25807e-10 3.96691e-10 ] [ 2.6931e-10 1.04845e-11 2.7319e-10 ] [ 4.09744e-10 1.52781e-10 4.38962e-10 ] [ 2.50984e-10 2.47613e-10 -2.02936e-11 ] [ 4.16866e-10 4.11218e-10 1.07304e-10 ] ] "source-value" [ [ 0.15223 0.0692904 -0.00428898 ] [ 1.42734 1.24068 1.17973 ] [ -0.332931 2.76994 2.80275 ] [ 1.2591 4.25807 3.96691 ] [ 2.6931 0.104845 2.7319 ] [ 4.09744 1.52781 4.38962 ] [ 2.50984 2.47613 -0.202936 ] [ 4.16866 4.11218 1.07304 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -4.454132716831661e-18 "source-value" -27.80051 } }