{ "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" [ [ 0.6710599 -1.9794835 -2.1791058 ] [ 0.8484548 -0.236124 0.7658115 ] [ -0.0040515 0.0719218 0.7739744 ] [ -1.8010723 1.2792322 1.5285767 ] [ 0.1411672 -0.9554028 -0.9802939 ] [ -0.5055428 1.7853644 1.4684693 ] [ 0.7451493 -1.4908665 -2.6281682 ] [ -0.0951646 1.5253584 1.250736 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.075156491794377e-09 -3.171482211088538e-09 -3.491312395773877e-09 ] [ 1.359374455565143e-09 -3.78312355526616e-10 1.226965291348491e-09 ] [ -6.491218632651e-12 1.152314274352212e-10 1.240043698994169e-09 ] [ -2.885635955204638e-09 2.049555940300414e-09 2.449049872016827e-09 ] [ 2.261747893272048e-10 -1.530724042218175e-09 -1.570603981032733e-09 ] [ -8.09968861646935e-10 2.860469124855429e-09 2.352747200206336e-09 ] [ 1.193860797301456e-09 -2.388631470713361e-09 -4.210789680261839e-09 ] [ -1.524704985039564e-10 2.443893586955625e-09 2.003899994502624e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -0.4279776015624819 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.856957130987704e-20 } }