{ "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" [ 5.4484 0 0 ] "si-unit" "m" "si-value" [ 5.448400000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00476084 5.4399 0 ] "si-unit" "m" "si-value" [ 4.76084e-13 5.4399e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0697031 -0.0639637 5.39979 ] "si-unit" "m" "si-value" [ -6.970310000000001e-12 -6.39637e-12 5.39979e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00902537 -0.0303023 -0.0491559 ] [ 1.28054 1.44048 1.35481 ] [ -0.0535965 2.57981 2.82719 ] [ 1.28029 4.0563 4.12138 ] [ 2.62772 -0.0777145 2.68834 ] [ 4.08246 1.48548 4.03991 ] [ 2.84369 2.84518 0.0189163 ] [ 4.03071 4.03913 1.36727 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -9.02537e-13 -3.03023e-12 -4.91559e-12 ] [ 1.28054e-10 1.44048e-10 1.35481e-10 ] [ -5.35965e-12 2.57981e-10 2.82719e-10 ] [ 1.28029e-10 4.0563e-10 4.12138e-10 ] [ 2.62772e-10 -7.771450000000001e-12 2.68834e-10 ] [ 4.08246e-10 1.48548e-10 4.03991e-10 ] [ 2.84369e-10 2.84518e-10 1.89163e-12 ] [ 4.03071e-10 4.03913e-10 1.36727e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.1537989 2.0230978 1.830447 ] [ 1.7512924 -2.128574 -0.5544193 ] [ 1.3123163 4.7572016 -2.970154 ] [ 1.1792158 -0.9112474 -1.3417828 ] [ 0.3081452 2.2262495 0.4626255 ] [ -2.4337598 -5.3068899 1.4799235 ] [ -3.4194375 -1.8636335 -0.3455875 ] [ 2.4560265 1.2037959 1.4389476 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.848589622684757e-09 3.241359996751915e-09 2.932699389013498e-09 ] [ 2.805879739464722e-09 -3.410351498442739e-09 -8.882776405803013e-10 ] [ 2.102562494954759e-09 7.621877183952353e-09 -4.758711298975603e-09 ] [ 1.889311985637969e-09 -1.459979280044786e-09 -2.149773032351562e-09 ] [ 4.937030352517402e-10 3.56684490096769e-09 7.412077602859104e-10 ] [ -3.899313052202883e-09 -8.50257492693965e-09 2.371098832272509e-09 ] [ -5.4785428187868e-09 -2.985870023439677e-09 -5.5369221294072e-10 ] [ 3.934988238365252e-09 1.928693647194895e-09 2.30544820327627e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.347104 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.663230364178617e-18 } }