{ "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" [ 5.45404 0 0 ] "si-unit" "m" "si-value" [ 5.45404e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00269758 5.32364 0 ] "si-unit" "m" "si-value" [ 2.69758e-13 5.32364e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0264471 0.0433477 5.27221 ] "si-unit" "m" "si-value" [ -2.64471e-12 4.33477e-12 5.272210000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0265045 0.0366931 0.0259636 ] [ 1.48655 1.36127 1.37402 ] [ -0.0176096 2.76119 2.70854 ] [ 1.17184 4.14313 4.05378 ] [ 2.72197 0.0231604 2.74475 ] [ 4.08411 1.50063 4.06205 ] [ 2.69936 2.73466 -0.181062 ] [ 4.07246 4.14715 1.4277 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.65045e-12 3.66931e-12 2.59636e-12 ] [ 1.48655e-10 1.36127e-10 1.37402e-10 ] [ -1.76096e-12 2.76119e-10 2.70854e-10 ] [ 1.17184e-10 4.14313e-10 4.05378e-10 ] [ 2.72197e-10 2.31604e-12 2.74475e-10 ] [ 4.08411e-10 1.50063e-10 4.06205e-10 ] [ 2.69936e-10 2.73466e-10 -1.81062e-11 ] [ 4.07246e-10 4.14715e-10 1.4277e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.3792805 2.3606873 2.6388951 ] [ -1.3921071 1.0476085 -0.7183065 ] [ 0.2572939 -0.5534081 -1.0801662 ] [ 2.436826 -1.2943749 -2.4409005 ] [ -0.190983 1.1829894 1.2769315 ] [ 0.7102348 -2.1911872 -1.9882165 ] [ -0.3218135 1.5455315 4.3546572 ] [ -0.1201707 -2.0978465 -2.0428941 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.209850970625334e-09 3.782238001079476e-09 4.227976033963678e-09 ] [ -2.230401449269688e-09 1.678453846451357e-09 -1.150853880868675e-09 ] [ 4.122302712544532e-10 -8.866575195813484e-10 -1.730617032218377e-09 ] [ 3.904225646157581e-09 -2.073817203330338e-09 -3.910753714799031e-09 ] [ -3.059884975702464e-10 1.89535795933422e-09 2.045869795663076e-09 ] [ 1.137921591838564e-09 -3.510668903636213e-09 -3.185473993388803e-09 ] [ -5.156020659578208e-10 2.476214436009955e-09 6.97692995743839e-09 ] [ -1.925346860451706e-10 -3.361120616327108e-09 -3.273077165790257e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -33.270836 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.3305755593671e-18 } }