{ "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" [ 5.4238 0 0 ] "si-unit" "m" "si-value" [ 5.4238e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0012341 5.50722 0 ] "si-unit" "m" "si-value" [ -1.2341e-13 5.507220000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00966142 -0.113973 5.43239 ] "si-unit" "m" "si-value" [ -9.661420000000001e-13 -1.13973e-11 5.43239e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0339885 -0.0385369 0.0299316 ] [ 1.35039 1.32575 1.36375 ] [ -0.105411 2.62445 2.64243 ] [ 1.34087 3.97443 4.1654 ] [ 2.65221 0.0889868 2.75972 ] [ 4.05512 1.26127 4.10909 ] [ 2.71709 2.70534 0.0564386 ] [ 4.05687 4.02913 1.37335 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.39885e-12 -3.85369e-12 2.99316e-12 ] [ 1.35039e-10 1.32575e-10 1.36375e-10 ] [ -1.05411e-11 2.62445e-10 2.64243e-10 ] [ 1.34087e-10 3.97443e-10 4.1654e-10 ] [ 2.652210000000001e-10 8.89868e-12 2.75972e-10 ] [ 4.05512e-10 1.26127e-10 4.10909e-10 ] [ 2.71709e-10 2.70534e-10 5.64386e-12 ] [ 4.05687e-10 4.02913e-10 1.37335e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.453629 -0.5541923 -0.3468857 ] [ -0.2257694 -0.3044707 -0.5964294 ] [ 0.9742082 1.1747896 1.7507035 ] [ 0.5295655 -0.1144219 -2.3104893 ] [ -0.8121355 -3.4082171 0.2774075 ] [ 1.7069704 -0.1481765 0.5846515 ] [ -0.8343874 0.6452059 -0.7853067 ] [ -0.8848227 2.7094828 1.4263487 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.26793784304786e-10 -8.87913953802718e-10 -5.557721632087337e-10 ] [ -3.617224573521996e-10 -4.878158412776237e-10 -9.555852485106395e-10 ] [ 1.560853614691199e-09 1.882220446986206e-09 2.804936240762019e-09 ] [ 8.484574702725269e-10 -1.833240945978846e-10 -3.701811969567016e-09 ] [ -1.301184521741907e-09 -5.460565801219241e-09 4.444558145963549e-10 ] [ 2.734868089809634e-09 -2.37404926007901e-10 9.36714972333051e-10 ] [ -1.336835995984011e-09 1.03373381709894e-09 -1.258200045263648e-09 ] [ -1.417642255172792e-09 4.341070032384894e-09 2.285262559076276e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -327.10236 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.240757581182562e-17 } }