{ "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" [ 5.5417 0 0 ] "si-unit" "m" "si-value" [ 5.5417e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0877832 5.55439 0 ] "si-unit" "m" "si-value" [ -8.77832e-12 5.55439e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0308884 0.040745 5.63916 ] "si-unit" "m" "si-value" [ 3.08884e-12 4.074500000000001e-12 5.63916e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.159411 -0.0874723 -0.00774134 ] [ 1.28203 1.40365 1.4018 ] [ -0.0744566 2.77196 2.86869 ] [ 1.41795 4.01233 4.00515 ] [ 2.72183 0.105785 2.67146 ] [ 4.038 1.47487 4.29534 ] [ 2.69485 2.74872 0.0100738 ] [ 4.0446 4.15007 1.27967 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.59411e-11 -8.747230000000001e-12 -7.74134e-13 ] [ 1.28203e-10 1.40365e-10 1.4018e-10 ] [ -7.44566e-12 2.77196e-10 2.86869e-10 ] [ 1.41795e-10 4.01233e-10 4.00515e-10 ] [ 2.72183e-10 1.05785e-11 2.67146e-10 ] [ 4.038e-10 1.47487e-10 4.29534e-10 ] [ 2.69485e-10 2.74872e-10 1.00738e-12 ] [ 4.0446e-10 4.150070000000001e-10 1.27967e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.3110831 1.3708606 -1.797268 ] [ -0.8399808 -0.1900556 -0.5870739 ] [ -1.086256 -0.6132268 -1.9655866 ] [ -0.2396919 2.4261511 2.3540219 ] [ 0.81515 -1.2576384 0.9762628 ] [ 0.7665304 -1.5299964 -1.0267559 ] [ -1.057773 0.2062341 -0.5725966 ] [ -0.6690618 -0.4123286 2.6189963 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.702763342052284e-09 2.19636082179122e-09 -2.879540794635912e-09 ] [ -1.345797610768627e-09 -3.045026414808504e-10 -9.405960850112526e-10 ] [ -1.740373981742304e-09 -9.82497650302591e-10 -3.149216922623504e-09 ] [ -3.840287615390646e-10 3.887122602973396e-09 3.771558884104284e-09 ] [ 1.3060142832051e-09 -2.014958858501146e-09 1.564145446803415e-09 ] [ 1.228117096130673e-09 -2.451324482184117e-09 -1.64504431180164e-09 ] [ -1.694739184676082e-09 3.304234561540194e-10 -9.174008932278443e-10 ] [ -1.071955182661981e-09 -6.606232484499323e-10 4.196094676392453e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.487637 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.685746279727386e-18 } }