{ "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" [ [ -0.9899962 1.6502622 1.808862 ] [ -1.4277524 1.1467494 -0.4794127 ] [ 0.2333331 -0.6341097 -1.1317052 ] [ 2.0213455 -0.6966512 -1.7524567 ] [ -0.0788066 0.9739157 0.7452441 ] [ 0.4293901 -1.6553022 -1.5795951 ] [ -0.1927585 0.8330816 3.8628862 ] [ 0.005245 -1.6179459 -1.4738227 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.586148779388791e-09 2.644011536813434e-09 2.898116430530508e-09 ] [ -2.287511534417421e-09 1.83729509373352e-09 -7.681038259828517e-10 ] [ 3.738408407587853e-10 -1.01595574473275e-09 -1.813191628016297e-09 ] [ 3.238552529341046e-09 -1.116158274688061e-09 -2.807745176836747e-09 ] [ -1.262620931249844e-10 1.560384978025754e-09 1.194012683646359e-09 ] [ 6.879587850909233e-10 -2.652086507048795e-09 -2.530790360400893e-09 ] [ -3.08833164704889e-10 1.334743873735334e-09 6.189026009441051e-09 ] [ 8.403416445329998e-12 -2.5922351160561e-09 -2.361324292598792e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.794865 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.734969632018441e-18 } }