{ "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" [ [ 4.4858124 -5.1282401 1.2988433 ] [ -1.7933962 2.992392 5.4855432 ] [ 4.6793884 0.365155 -2.3942039 ] [ -2.7091858 -0.4239336 -2.0087809 ] [ 2.4280399 1.0073121 0.0411407 ] [ -7.7502085 4.5695005 -7.9224591 ] [ 5.1804029 1.3062508 2.2213653 ] [ -4.5208531 -4.6884368 3.2785514 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.187063752574738e-09 -8.216346394069054e-09 2.080976369342721e-09 ] [ -2.873337463471561e-09 4.794340502668954e-09 8.788809067428419e-09 ] [ 7.497206694122719e-09 5.850428039682241e-10 -3.835937514008181e-09 ] [ -4.340594150163344e-09 -6.792165026915789e-10 -3.218421794289583e-09 ] [ 3.89014876214957e-09 1.613891896468952e-09 6.591466770334656e-11 ] [ -1.241720286502544e-08 7.321146869833911e-09 -1.269317874926421e-08 ] [ 8.299920412704519e-09 2.092844492661297e-09 3.559019549916378e-09 ] [ -7.243205142891205e-09 -7.511703829058366e-09 5.252818403171109e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -30.78914 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.932964028253811e-18 } }