{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.48715e-10 0.0 0.0 ] "source-value" [ 5.48715 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 8.53536e-12 5.45185e-10 0.0 ] "source-value" [ 0.0853536 5.45185 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -9.25937e-12 3.73061e-12 5.50955e-10 ] "source-value" [ -0.0925937 0.0373061 5.50955 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -1.623970388502094e-09 -2.727000739198848e-10 5.000127272197747e-10 ] [ 1.062146648557828e-09 -8.909250772285113e-10 -9.39430173334921e-10 ] [ -2.721700738937242e-10 -2.122730213604403e-10 2.653507776079117e-09 ] [ -1.838300925078966e-09 -2.027530480973088e-09 2.332864008740752e-09 ] [ 1.800935763016979e-09 2.823459782654112e-09 -4.11751380662496e-10 ] [ -1.095672835218716e-09 5.876868760455303e-10 -1.775788479429888e-10 ] [ 6.333179877295488e-10 -4.731139441508256e-10 -2.037190484472877e-09 ] [ 1.333713823389145e-09 4.653957787154457e-10 -1.92043362562636e-09 ] ] "source-value" [ [ -1.0136026 -0.170206 0.3120834 ] [ 0.6629398 -0.5560717 -0.5863462 ] [ -0.1698752 -0.1324904 1.6561893 ] [ -1.1473772 -1.265485 1.4560592 ] [ 1.1240557 1.762265 -0.256995 ] [ -0.6838652 0.3668053 -0.110836 ] [ 0.395286 -0.2952945 -1.2715143 ] [ 0.8324387 0.2904772 -1.1986404 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.804094053114677e-18 "source-value" -36.226306 } }