{ "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" [ [ 1.6082279 -0.0395755 0.6177605 ] [ -0.9322519 -1.8797588 -0.5281577 ] [ -0.5421023 0.8215553 -0.1444955 ] [ 0.0264181 -0.3060321 1.8479001 ] [ 0.0832852 1.072705 0.6661647 ] [ -1.5576607 -0.3272423 0.7345427 ] [ 0.6660684 1.0542038 -1.8091475 ] [ 0.6480153 -0.3958554 -1.3845674 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.576665163526888e-09 -6.3406941378867e-11 9.89761438508157e-10 ] [ -1.493632211182105e-09 -3.011705626915879e-09 -8.462019260071817e-10 ] [ -8.685436382976581e-10 1.31627670519886e-09 -2.31507313818147e-10 ] [ 4.23264625346754e-11 -4.903174798739513e-10 2.960662362186263e-09 ] [ 1.334376013980168e-10 1.71866288617497e-09 1.06731351673562e-09 ] [ -2.495647577240083e-09 -5.242999667164181e-10 1.176867150615272e-09 ] [ 1.067159227125765e-09 1.689020695834009e-09 -2.898573851959515e-09 ] [ 1.0382349721345e-09 -6.342302723227236e-10 -2.218321536478131e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -0.4891626015624766 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.837248904500519e-20 } }