{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.4238e-10 0.0 0.0 ] "source-value" [ 5.4238 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.2341e-13 5.507220000000001e-10 0.0 ] "source-value" [ -0.0012341 5.50722 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -9.661420000000001e-13 -1.13973e-11 5.43239e-10 ] "source-value" [ -0.00966142 -0.113973 5.43239 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 3.214499826139527e-09 -3.148830611894487e-09 -3.635741860232993e-09 ] [ -2.206332911201382e-09 -1.571571842989479e-10 8.592546917474957e-10 ] [ -4.856654438634715e-09 -5.955750163986107e-09 -5.566906384212487e-09 ] [ -1.815261785489524e-09 1.106957285594335e-09 1.824560898705478e-08 ] [ 6.556435178520864e-10 1.168848423171632e-08 -2.266652137274246e-10 ] [ 5.458623757948704e-10 -1.020660688227143e-09 1.724578108099258e-10 ] [ -2.492176280812337e-09 3.674199386315042e-09 -2.749732100659435e-09 ] [ 6.954419536133813e-09 -6.187242255219017e-09 -7.098275930779864e-09 ] ] "source-value" [ [ 2.006333 -1.9653455 -2.2692516 ] [ -1.3770847 -0.0980898 0.5363046 ] [ -3.0312853 -3.7172869 -3.4745897 ] [ -1.1329973 0.6909084 11.3880135 ] [ 0.4092205 7.2953781 -0.1414733 ] [ 0.3407005 -0.6370463 0.1076397 ] [ -1.5554941 2.2932549 -1.7162478 ] [ 4.3406073 -3.8617729 -4.4303954 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -2.688324676225722e-18 "source-value" -16.779203 } }