{ "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" [ [ 0.1157187 -0.2269428 0.0697357 ] [ -0.4699312 0.2856499 -0.2877508 ] [ 1.0520229 0.2378183 1.3054163 ] [ -0.1772397 0.3800183 -1.2029429 ] [ 0.1867342 -2.3625584 0.0693861 ] [ 0.168642 0.420491 0.0822644 ] [ -0.228343 -0.0437582 -0.3056406 ] [ -0.647604 1.3092818 0.2695318 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.854017957293689e-10 -3.636024484188902e-10 1.117289081751226e-10 ] [ -7.52912782024489e-10 4.57661591513858e-10 -4.610276043764966e-10 ] [ 1.685526494926217e-09 3.810269202584006e-10 2.091507476271239e-09 ] [ -2.839693036176058e-10 6.088564357361606e-10 -1.927326990537352e-09 ] [ 2.991811695437913e-10 -3.785235833754655e-09 1.111687872284909e-10 ] [ 2.701942696849536e-10 6.737008494568128e-10 1.318020984041395e-10 ] [ -3.658458161233344e-10 -7.010836500829056e-11 -4.896902236872845e-10 ] [ -1.037575988336563e-09 2.097700689998941e-09 4.318375485221414e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -23.469767 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.760271198302335e-18 } }