{ "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" [ [ -0.9498539 1.648904 1.912431 ] [ -1.0345671 0.6885453 -0.5292645 ] [ 0.0876337 -0.2807149 -0.6538243 ] [ 1.78317 -1.0033771 -1.8159728 ] [ -0.1240764 1.0119346 0.7062458 ] [ 0.4523099 -1.5115787 -1.5362676 ] [ -0.1757759 0.9730659 3.3356305 ] [ -0.0388403 -1.5267792 -1.4189781 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.521833711755701e-09 2.641835438743603e-09 3.064052237093165e-09 ] [ -1.657559220268856e-09 1.103171182021722e-09 -8.479752081194017e-10 ] [ 1.404046653342009e-10 -4.497548498902099e-10 -1.047542007570926e-09 ] [ 2.856953284911936e-09 -1.607587331466104e-09 -2.909509164168714e-09 ] [ -1.987923072730291e-10 1.6212979578986e-09 1.131530509298193e-09 ] [ 7.246803471363858e-10 -2.421816053639257e-09 -2.461372032012526e-09 ] [ -2.816240374800788e-10 1.559023435477711e-09 5.344269202727415e-09 ] [ -6.222902060485825e-11 -2.446169939363727e-09 -2.273453537247204e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.608821 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.462114780925208e-18 } }