{ "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" [ 5.18551 0 0 ] "si-unit" "m" "si-value" [ 5.18551e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.238045 5.44258 0 ] "si-unit" "m" "si-value" [ 2.38045e-11 5.44258e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0219846 -0.0831786 5.06218 ] "si-unit" "m" "si-value" [ 2.19846e-12 -8.31786e-12 5.06218e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0772431 0.350103 0.202788 ] [ 1.30878 1.27698 1.65073 ] [ 0.0902711 2.6496 2.76502 ] [ 1.60148 3.65596 4.18013 ] [ 2.76894 -0.178197 3.21948 ] [ 3.70957 1.45836 3.94737 ] [ 2.83791 2.83658 -0.151442 ] [ 4.06532 3.74454 1.70854 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.72431e-12 3.50103e-11 2.02788e-11 ] [ 1.30878e-10 1.27698e-10 1.65073e-10 ] [ 9.02711e-12 2.6496e-10 2.76502e-10 ] [ 1.60148e-10 3.65596e-10 4.18013e-10 ] [ 2.76894e-10 -1.78197e-11 3.21948e-10 ] [ 3.70957e-10 1.45836e-10 3.94737e-10 ] [ 2.83791e-10 2.83658e-10 -1.51442e-11 ] [ 4.06532e-10 3.74454e-10 1.70854e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.8679322 -3.1790949 -0.756656 ] [ 3.5881585 -0.6739674 -0.3109329 ] [ 3.2311973 -1.6636624 3.7818957 ] [ -11.9336875 9.1175629 -5.273968 ] [ -2.5422325 -3.6161263 -3.7909573 ] [ 8.2292361 -6.7055786 -4.037094 ] [ 4.961045 1.1810711 15.5879482 ] [ -3.6657847 5.5397956 -5.2002357 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.99275730007951e-09 -5.093471524084514e-09 -1.212296553188045e-09 ] [ 5.748863660424797e-09 -1.079814811461362e-09 -4.981694230175443e-10 ] [ 5.176948771252083e-09 -2.665481002184018e-09 6.059264872844051e-09 ] [ -1.91198751124332e-08 1.460794611705345e-08 -8.449828228447335e-09 ] [ -4.073105476137936e-09 -5.793673015720007e-09 -6.073783156511092e-09 ] [ 1.318468968646337e-08 -1.07435212618568e-08 -6.468137622771955e-09 ] [ 7.948470313736737e-09 1.892284503922539e-09 2.497464617228144e-08 ] [ -5.873234543226342e-09 8.875730994330709e-09 -8.331696061189523e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.730352038775916 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.078321268628039e-18 } }