{ "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" [ 5.46402 0 0 ] "si-unit" "m" "si-value" [ 5.46402e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0122514 5.46447 0 ] "si-unit" "m" "si-value" [ 1.22514e-12 5.464470000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0384841 0.0769758 5.42124 ] "si-unit" "m" "si-value" [ -3.848410000000001e-12 7.69758e-12 5.42124e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.184284 -0.0140014 0.000758292 ] [ 1.32272 1.33713 1.35336 ] [ -0.167119 2.81332 2.70768 ] [ 1.35941 4.15239 4.11153 ] [ 2.7301 0.0328947 2.73301 ] [ 3.99842 1.37193 4.14824 ] [ 2.79546 2.80288 -0.167 ] [ 4.15007 4.1513 1.18971 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.84284e-11 -1.40014e-12 7.582920000000001e-14 ] [ 1.32272e-10 1.33713e-10 1.35336e-10 ] [ -1.67119e-11 2.81332e-10 2.70768e-10 ] [ 1.35941e-10 4.15239e-10 4.11153e-10 ] [ 2.7301e-10 3.28947e-12 2.73301e-10 ] [ 3.99842e-10 1.37193e-10 4.148240000000001e-10 ] [ 2.79546e-10 2.80288e-10 -1.67e-11 ] [ 4.150070000000001e-10 4.1513e-10 1.18971e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.6512895 -2.7362894 1.4727643 ] [ 4.4078762 -6.5774156 4.405166 ] [ -7.6446113 3.898334 -2.5060957 ] [ 0.5534263 4.6332829 -2.9173882 ] [ -3.5204412 6.9404695 3.5170329 ] [ -2.4155387 -0.9174965 -6.2182801 ] [ 6.8094693 1.3695477 1.7208857 ] [ 5.4611089 -6.6104327 0.5259151 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.850010672672522e-09 -4.384018904422859e-09 2.359628529408878e-09 ] [ 7.062196195020744e-09 -1.053818149960521e-08 7.057853975943053e-09 ] [ -1.22480174999635e-08 6.245819594869747e-09 -4.01520794002741e-09 ] [ 8.866866791958471e-10 7.423337539932424e-09 -4.674171167837795e-09 ] [ -5.640368585541098e-09 1.111985797027547e-08 5.634907886964424e-09 ] [ -3.870119631777625e-09 -1.469991441965827e-09 -9.962782997805887e-09 ] [ 1.090997251251534e-08 2.194257306010412e-09 2.757162835609043e-09 ] [ 8.749661003222805e-09 -1.059108072531182e-08 8.42608877745694e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -16.627691 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.664049777808657e-18 } }