{ "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" [ 5.48715 0 0 ] "si-unit" "m" "si-value" [ 5.48715e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0853536 5.45185 0 ] "si-unit" "m" "si-value" [ 8.53536e-12 5.45185e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0925937 0.0373061 5.50955 ] "si-unit" "m" "si-value" [ -9.25937e-12 3.73061e-12 5.50955e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.108625 -0.0346204 -0.093953 ] [ 1.31877 1.39109 1.34024 ] [ -0.0198257 2.75858 2.57664 ] [ 1.43337 4.133 3.94558 ] [ 2.6449 -0.0446732 2.70542 ] [ 4.12571 1.36749 4.0773 ] [ 2.7517 2.72879 0.0316261 ] [ 4.07324 4.11206 1.36119 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.08625e-11 -3.46204e-12 -9.3953e-12 ] [ 1.31877e-10 1.39109e-10 1.34024e-10 ] [ -1.98257e-12 2.75858e-10 2.57664e-10 ] [ 1.43337e-10 4.133e-10 3.94558e-10 ] [ 2.6449e-10 -4.467320000000001e-12 2.70542e-10 ] [ 4.12571e-10 1.36749e-10 4.0773e-10 ] [ 2.7517e-10 2.72879e-10 3.16261e-12 ] [ 4.07324e-10 4.11206e-10 1.36119e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.9941054 -0.0108356 0.1458183 ] [ 0.6800419 -0.5665889 -0.679475 ] [ -0.2199639 -0.1339499 1.65386 ] [ -1.253484 -1.2546059 1.5717435 ] [ 1.2022119 1.7723298 -0.3469384 ] [ -0.5580706 0.300523 -0.0072774 ] [ 0.4183678 -0.2628665 -1.1788211 ] [ 0.7250024 0.155994 -1.1589099 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.592732430491032e-09 -1.736054499234048e-11 2.336266711448007e-10 ] [ 1.089547233344412e-09 -9.077754891847891e-10 -1.08863895941808e-09 ] [ -3.524210179999891e-10 -2.146113981384979e-10 2.649775826076288e-09 ] [ -2.008302759346867e-09 -2.010100241297743e-09 2.518210689594365e-09 ] [ 1.926155799427547e-09 2.83958536990714e-09 -5.558565933377587e-10 ] [ -8.941276680758285e-10 4.814909246126784e-10 -1.165968014020992e-11 ] [ 6.702991080555302e-10 -4.211585606915232e-10 -1.888679606525739e-09 ] [ 1.16158189530389e-09 2.499299397850752e-10 -1.856778347393666e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.4285 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.83648910308128e-18 } }