{ "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" [ 5.51526 0 0 ] "si-unit" "m" "si-value" [ 5.51526e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0933018 5.35906 0 ] "si-unit" "m" "si-value" [ -9.33018e-12 5.35906e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.235006 -0.443739 5.60819 ] "si-unit" "m" "si-value" [ 2.35006e-11 -4.43739e-11 5.60819e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0139599 -0.0171452 -0.258284 ] [ 1.4668 1.50235 1.27166 ] [ -0.150248 2.65293 3.01531 ] [ 1.35939 3.8116 4.44507 ] [ 2.6266 -0.11212 2.88055 ] [ 3.83653 1.13315 3.7283 ] [ 2.72617 2.6833 0.230289 ] [ 3.93014 4.1583 1.51189 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.39599e-12 -1.71452e-12 -2.58284e-11 ] [ 1.4668e-10 1.50235e-10 1.27166e-10 ] [ -1.50248e-11 2.65293e-10 3.01531e-10 ] [ 1.35939e-10 3.8116e-10 4.44507e-10 ] [ 2.6266e-10 -1.1212e-11 2.88055e-10 ] [ 3.83653e-10 1.13315e-10 3.7283e-10 ] [ 2.72617e-10 2.6833e-10 2.30289e-11 ] [ 3.930140000000001e-10 4.1583e-10 1.51189e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.8385806 3.2364567 0.6420206 ] [ -4.9840377 -1.9280338 1.7746708 ] [ 1.4554179 0.12428730000000003 -2.0467173 ] [ 2.1668311 -2.213406 2.2158801 ] [ -5.2781298 -0.9725029 -0.4123741 ] [ 2.4952815 0.05443459999999997 2.8337719 ] [ 2.880757 0.6129956 -3.1731273 ] [ 5.1024604 1.0857684 -1.8341247 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.150084094376436e-09 5.185375258971519e-09 1.028630395391988e-09 ] [ -7.985308680125804e-09 -3.089050678472183e-09 2.843336065376433e-09 ] [ 2.331836532873832e-09 1.991302063223559e-10 -3.2792026074469e-09 ] [ 3.471646129642347e-09 -3.546267345538445e-09 3.550231290715966e-09 ] [ -8.45649616710778e-09 -1.5581214100402e-09 -6.606961420434413e-10 ] [ 3.997881681614755e-09 8.721384348259964e-11 4.540203086859995e-09 ] [ 4.615481515605946e-09 9.821272189732685e-10 -5.083910374882228e-09 ] [ 8.175042761437817e-09 1.739592746083423e-09 -2.938591713971814e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -212.05286 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.397461346657755e-17 } }