{ "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" [ 5.39143 0 0 ] "si-unit" "m" "si-value" [ 5.39143e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.144963 5.17841 0 ] "si-unit" "m" "si-value" [ 1.44963e-11 5.178410000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.144779 0.421312 5.38784 ] "si-unit" "m" "si-value" [ -1.44779e-11 4.21312e-11 5.38784e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.15223 0.0692904 -0.00428898 ] [ 1.42734 1.24068 1.17973 ] [ -0.332931 2.76994 2.80275 ] [ 1.2591 4.25807 3.96691 ] [ 2.6931 0.104845 2.7319 ] [ 4.09744 1.52781 4.38962 ] [ 2.50984 2.47613 -0.202936 ] [ 4.16866 4.11218 1.07304 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5223e-11 6.929040000000001e-12 -4.288980000000001e-13 ] [ 1.42734e-10 1.24068e-10 1.17973e-10 ] [ -3.32931e-11 2.76994e-10 2.80275e-10 ] [ 1.2591e-10 4.25807e-10 3.96691e-10 ] [ 2.6931e-10 1.04845e-11 2.7319e-10 ] [ 4.09744e-10 1.52781e-10 4.38962e-10 ] [ 2.50984e-10 2.47613e-10 -2.02936e-11 ] [ 4.16866e-10 4.11218e-10 1.07304e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.0302123 -2.4669562 -0.3981619 ] [ -0.7621747 1.8152668 4.1241184 ] [ 3.114763 0.1933037 -1.5343842 ] [ -1.8064131 -0.0733377 -1.6975236 ] [ 1.3306958 0.605188 -0.3935436 ] [ -3.759736 1.4278326 -3.5719263 ] [ 3.6106534 0.8285922 1.352165 ] [ -2.7580007 -2.3298894 2.1192563 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.650582061520596e-09 -3.952499548177609e-09 -6.379256874733076e-10 ] [ -1.221138485305254e-09 2.90837802747443e-09 6.607566081891104e-09 ] [ 4.99040045793287e-09 3.09706668854137e-10 -2.458354492564912e-09 ] [ -2.894192836326853e-09 -1.174999483632442e-10 -2.719732625176251e-09 ] [ 2.132009700156753e-09 9.696180647887103e-10 -6.305263551854669e-10 ] [ -6.023761119580109e-09 2.287640010136078e-09 -5.722856809080647e-09 ] [ 5.784904463292031e-09 1.327551051017238e-09 2.166407150464032e-09 ] [ -4.418804241690035e-09 -3.73289432572974e-09 3.395422897343111e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -33.156682 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.312286072370019e-18 } }