{ "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" [ [ 0.0787924 -0.2499577 0.115116 ] [ -0.5368133 0.3972525 -0.3962711 ] [ 1.7228237 0.7421728 2.0559818 ] [ -0.0695424 0.4871126 -2.4762377 ] [ 0.2213373 -4.09837 0.0182164 ] [ 0.2700299 0.5710549 0.1528689 ] [ -0.3117581 -0.0454824 -0.3988608 ] [ -1.3748696 2.1962173 0.9291865 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.262393411767219e-10 -4.004763831289402e-10 1.844361638800128e-10 ] [ -8.600697189944967e-10 6.36468668054352e-10 -6.348962919186989e-10 ] [ 2.760267853900153e-09 1.189091908753674e-09 3.294045972750302e-09 ] [ -1.114192074343219e-10 7.804404194171021e-10 -3.967370150483565e-09 ] [ 3.546214473709958e-10 -6.566312597388096e-09 2.918589019514112e-11 ] [ 4.326355926969619e-10 9.14930809973282e-10 2.449229776274131e-10 ] [ -4.994915391650284e-10 -7.287083793787391e-11 -6.390454487135846e-10 ] [ -2.202783929768648e-09 3.5187280122565e-09 1.488720886662979e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.48179 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.845027102293523e-18 } }