{ "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" [ [ -0.9843889 -0.2394133 0.3681918 ] [ 0.7968962 -0.6624219 -0.558719 ] [ -0.1042249 -0.0774347 1.852975 ] [ -1.4173266 -1.5021282 1.6741282 ] [ 1.2642004 2.0251334 -0.4906798 ] [ -0.7573619 0.4084209 -0.2521292 ] [ 0.3030694 -0.3242873 -1.3428673 ] [ 0.8991362 0.372131 -1.2508997 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.577164894348962e-09 -3.835823951288322e-10 5.899082987904011e-10 ] [ 1.276768471363391e-09 -1.061316890029884e-09 -8.951665267718458e-10 ] [ -1.669866994609866e-10 -1.240640670007998e-10 2.96879324838615e-09 ] [ -2.270807561266664e-09 -2.406674703312479e-09 2.682249084360478e-09 ] [ 2.025472341573454e-09 3.244621414212975e-09 -7.861557103357931e-10 ] [ -1.213427539661844e-09 6.543624228172505e-10 -4.039555129891128e-10 ] [ 4.855707111603995e-10 -5.195655347629481e-10 -2.151510610622668e-09 ] [ 1.440575010423551e-09 5.962195929870539e-10 -2.00416227081761e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.369767 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.827079087142428e-18 } }