{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.46402e-10 0.0 0.0 ] "source-value" [ 5.46402 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.22514e-12 5.464470000000001e-10 0.0 ] "source-value" [ 0.0122514 5.46447 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -3.848410000000001e-12 7.69758e-12 5.42124e-10 ] "source-value" [ -0.0384841 0.0769758 5.42124 ] } "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" [ [ -9.50522394559576e-09 7.156282094465281e-12 -3.541886353786529e-09 ] [ 5.346990499717843e-09 9.083000898757377e-09 3.436168491857324e-09 ] [ 4.694081096269152e-09 -2.682232399625131e-09 2.218023513350373e-09 ] [ -3.287048145923634e-09 1.259167909794225e-09 -1.072963535730198e-08 ] [ -1.375726579392749e-10 -3.104516489392766e-09 -2.186551477335013e-09 ] [ 7.404608255452935e-09 -2.938735268997038e-09 -3.393503329533731e-09 ] [ -1.221031459906984e-09 -3.785238397237249e-09 1.205729856068268e-08 ] [ -3.29480380229194e-09 2.161397464606115e-09 2.140085952066881e-09 ] ] "source-value" [ [ -5.9326942 0.0044666 -2.2106716 ] [ 3.337329 5.6691633 2.1446877 ] [ 2.929815 -1.6741178 1.3843814 ] [ -2.0516141 0.7859108 -6.6969117 ] [ -0.0858661 -1.9376868 -1.3647381 ] [ 4.621593 -1.8342143 -2.1180582 ] [ -0.7621079 -2.36256 7.5255739 ] [ -2.0564548 1.3490382 1.3357366 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.565604775925748e-18 "source-value" -34.737773 } }