{ "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" [ 5.4737 0 0 ] "si-unit" "m" "si-value" [ 5.4737e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00330015 5.48579 0 ] "si-unit" "m" "si-value" [ -3.30015e-13 5.48579e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0734366 -0.160082 5.49307 ] "si-unit" "m" "si-value" [ 7.34366e-12 -1.60082e-11 5.49307e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.150853 0.00970189 0.0764733 ] [ 1.36952 1.32009 1.51972 ] [ 0.0340703 2.70337 2.97189 ] [ 1.37909 3.89909 4.39384 ] [ 2.73154 -0.0872152 2.86586 ] [ 4.10719 1.23544 4.14892 ] [ 2.70311 2.76853 0.030971 ] [ 4.04883 4.00647 1.36661 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.50853e-11 9.70189e-13 7.647329999999999e-12 ] [ 1.36952e-10 1.32009e-10 1.51972e-10 ] [ 3.40703e-12 2.70337e-10 2.97189e-10 ] [ 1.37909e-10 3.89909e-10 4.39384e-10 ] [ 2.73154e-10 -8.72152e-12 2.86586e-10 ] [ 4.10719e-10 1.23544e-10 4.148920000000001e-10 ] [ 2.70311e-10 2.76853e-10 3.0971e-12 ] [ 4.04883e-10 4.00647e-10 1.36661e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.8271514 0.097395 0.6014196 ] [ -0.307489 0.2535367 -0.4515864 ] [ -0.5522042 -0.4837784 -1.4589999 ] [ -0.0989556 1.8506543 -1.5685447 ] [ -0.5053366 -0.9743222 -0.2142219 ] [ 0.1889711 0.2613659 0.5353381 ] [ -0.1127462 -1.6529203 1.0086866 ] [ 0.5606092 0.6480689 1.5479088 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.325242634941989e-09 1.56043991982816e-10 9.635804224108877e-10 ] [ -4.926516869531712e-10 4.062105732547833e-10 -7.235211723512372e-10 ] [ -8.847286591475675e-10 -7.750984421280307e-10 -2.337575529529538e-09 ] [ -1.585443488172365e-10 2.965075052642989e-09 -2.51308564701975e-09 ] [ -8.096384861545613e-10 -1.561036249966422e-09 -3.432213198433555e-10 ] [ 3.027650784268589e-10 4.187543344543507e-10 8.577061880434926e-10 ] [ -1.80639325724041e-10 -2.648270260705722e-09 1.616094088234242e-09 ] [ 8.981949536453915e-10 1.038320840247573e-09 2.480023290490583e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.101162 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.540996504891337e-18 } }