{ "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" [ [ -1.0053216 1.686429 1.8385481 ] [ -1.061007 0.7495239 -0.525152 ] [ 0.1895606 -0.3774974 -0.7366259 ] [ 1.8307769 -0.9247988 -1.7403316 ] [ -0.1594111 0.9166127 0.8521754 ] [ 0.5064119 -1.604916 -1.420579 ] [ -0.2576741 1.0261487 3.1881466 ] [ -0.0433356 -1.4715019 -1.4561818 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.610702763905249e-09 2.701957116439124e-09 2.94567878203626e-09 ] [ -1.699920609905146e-09 1.200869669310837e-09 -8.413862567663615e-10 ] [ 3.037095615448205e-10 -6.048175086927859e-10 -1.180204795255759e-09 ] [ 2.9332279470807e-09 -1.481691016303895e-09 -2.788318601959457e-09 ] [ -2.554047375160109e-10 1.468575438268364e-09 1.365335502700888e-09 ] [ 8.113613066749076e-10 -2.571358893547853e-09 -2.276018461799443e-09 ] [ -4.128394188056813e-10 1.644071456604313e-09 5.107973946203009e-09 ] [ -6.943128516834048e-11 -2.35760594164278e-09 -2.333060435594462e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -26.069287 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.176760215232537e-18 } }