{ "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" [ 5.45404 0 0 ] "si-unit" "m" "si-value" [ 5.45404e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00269758 5.32364 0 ] "si-unit" "m" "si-value" [ 2.69758e-13 5.32364e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0264471 0.0433477 5.27221 ] "si-unit" "m" "si-value" [ -2.64471e-12 4.33477e-12 5.272210000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0265045 0.0366931 0.0259636 ] [ 1.48655 1.36127 1.37402 ] [ -0.0176096 2.76119 2.70854 ] [ 1.17184 4.14313 4.05378 ] [ 2.72197 0.0231604 2.74475 ] [ 4.08411 1.50063 4.06205 ] [ 2.69936 2.73466 -0.181062 ] [ 4.07246 4.14715 1.4277 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.65045e-12 3.66931e-12 2.59636e-12 ] [ 1.48655e-10 1.36127e-10 1.37402e-10 ] [ -1.76096e-12 2.76119e-10 2.70854e-10 ] [ 1.17184e-10 4.14313e-10 4.05378e-10 ] [ 2.72197e-10 2.31604e-12 2.74475e-10 ] [ 4.08411e-10 1.50063e-10 4.06205e-10 ] [ 2.69936e-10 2.73466e-10 -1.81062e-11 ] [ 4.07246e-10 4.14715e-10 1.4277e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.9899953 1.6502615 1.8088613 ] [ -1.4277527 1.1467493 -0.4794127 ] [ 0.2333331 -0.6341098 -1.1317051 ] [ 2.0213446 -0.6966503 -1.752456 ] [ -0.0788069 0.9739159 0.7452444 ] [ 0.4293909 -1.6553028 -1.5795957 ] [ -0.1927592 0.8330822 3.8628866 ] [ 0.0052453 -1.617946 -1.4738228 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.58614733742982e-09 2.644010415289791e-09 2.898115309006864e-09 ] [ -2.287512015070412e-09 1.837294933515856e-09 -7.681038259828517e-10 ] [ 3.738408407587853e-10 -1.015955904950413e-09 -1.813191467798633e-09 ] [ 3.238551087382076e-09 -1.11615683272909e-09 -2.807744055313104e-09 ] [ -1.262625737779746e-10 1.56038529846108e-09 1.19401316429935e-09 ] [ 6.879600668322305e-10 -2.652087468354775e-09 -2.530791321706874e-09 ] [ -3.088342862285327e-10 1.334744835041315e-09 6.189026650311703e-09 ] [ 8.403897098320199e-12 -2.592235276273764e-09 -2.361324452816455e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.794865 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.734969632018441e-18 } }