{ "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" [ [ -1.2708294 -0.092503 0.3694837 ] [ 0.9082518 -0.8314245 -0.7289181 ] [ -0.1768914 -0.0697971 2.1920015 ] [ -1.6562187 -1.7966053 1.988342 ] [ 1.5051667 2.4252883 -0.4812771 ] [ -0.8342961 0.3731802 -0.2084449 ] [ 0.4343411 -0.3003955 -1.5930193 ] [ 1.090476 0.2922571 -1.5381678 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.036093153705292e-09 -1.482061439538624e-10 5.91978145906681e-10 ] [ 1.455179799759518e-09 -1.33208889586033e-09 -1.167855538297956e-09 ] [ -2.834112655005811e-10 -1.118272818196397e-10 3.511973556058531e-09 ] [ -2.653554880071769e-09 -2.87847900846537e-09 3.185675066554714e-09 ] [ 2.411542897146687e-09 3.885740212959777e-09 -7.710909177464237e-10 ] [ -1.336689706244619e-09 5.979005917854682e-10 -3.339655455049939e-10 ] [ 6.958911558725549e-10 -4.812866470935265e-10 -2.552298278943181e-09 ] [ 1.747135152743501e-09 4.682474928828077e-10 -2.46441648802737e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.207733 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.801118330476865e-18 } }