{ "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" [ [ -4.26959737821882e-09 3.852069990620679e-10 -7.954752448266893e-10 ] [ 2.232381258920011e-09 3.838419285593801e-09 1.233008371018113e-09 ] [ 2.637901133833567e-09 -1.672201672624009e-09 4.052042461192589e-10 ] [ -9.122604621993947e-10 2.762660384247993e-10 -4.664141862626911e-09 ] [ -2.976131192850144e-10 -9.342142873459065e-10 -1.345818748412275e-09 ] [ 3.145090170355567e-09 -1.634016676785158e-10 -2.465994471781196e-09 ] [ -1.185125079658235e-09 -2.245049509243014e-09 5.322521417494337e-09 ] [ -1.350776683965341e-09 5.149748138107776e-10 2.310696453233025e-09 ] ] "source-value" [ [ -2.6648731 0.2404273 -0.4964966 ] [ 1.3933428 2.3957529 0.7695833 ] [ 1.6464484 -1.0437062 0.2529086 ] [ -0.5693882 0.1724317 -2.9111284 ] [ -0.1857555 -0.5830907 -0.839994 ] [ 1.9630109 -0.1019873 -1.5391527 ] [ -0.7396969 -1.4012497 3.3220566 ] [ -0.8430885 0.321422 1.4422233 ] ] } "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" -5.729327840234397e-18 "source-value" -35.759652 } }