{ "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" [ [ -2.03609317048024e-09 -1.48206145174902e-10 5.919781507838658e-10 ] [ 1.455179811748441e-09 -1.332088906835133e-09 -1.167855547919675e-09 ] [ -2.834112678355475e-10 -1.118272827409614e-10 3.511973584992951e-09 ] [ -2.653554901933855e-09 -2.87847903218056e-09 3.185675092800828e-09 ] [ 2.411542917014887e-09 3.885740244973582e-09 -7.710909240992813e-10 ] [ -1.336689717257327e-09 5.979005967114468e-10 -3.339655482564665e-10 ] [ 6.958911616058573e-10 -4.812866510587469e-10 -2.552298299971036e-09 ] [ 1.747135167137784e-09 4.682474967406013e-10 -2.464416508331185e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.207733 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.801118378271071e-18 } }