{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.42356e-10 0.0 0.0 ] "source-value" [ 5.42356 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.41122e-12 5.36968e-10 0.0 ] "source-value" [ 0.0141122 5.36968 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.25956e-11 8.99535e-12 5.380670000000001e-10 ] "source-value" [ -0.125956 0.0899535 5.38067 ] } "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" [ [ 4.789992195320103e-10 8.383821756023616e-11 5.514948277052929e-10 ] [ -2.574835616814989e-10 1.122460106794858e-09 3.801407563694362e-10 ] [ 1.578440374162848e-10 -1.170053564404032e-11 -5.728093843801056e-10 ] [ -3.586039777973185e-11 -2.444676390317818e-10 -3.779781383666803e-10 ] [ 4.856770916875047e-10 -4.672301107285996e-10 -2.968721125978944e-10 ] [ -4.845735124310976e-10 1.265764391377382e-09 -7.365971766242342e-10 ] [ -4.897805864486977e-11 -9.031842918602247e-10 1.650728981116723e-10 ] [ -2.956248180986016e-10 -8.454799782501676e-10 8.875483297825132e-10 ] ] "source-value" [ [ 0.2989678 0.0523277 0.344216 ] [ -0.1607086 0.7005845 0.2372652 ] [ 0.0985185 -0.0073029 -0.3575195 ] [ -0.0223823 -0.1525847 -0.2359154 ] [ 0.3031358 -0.2916221 -0.185293 ] [ -0.302447 0.790028 -0.4597478 ] [ -0.0305697 -0.5637233 0.1030304 ] [ -0.1845145 -0.5277071 0.5539641 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -1.32742e-12 7.97855e-12 -4.80858e-12 ] [ 1.38077e-10 1.28242e-10 1.3281e-10 ] [ 1.39699e-12 2.873810000000001e-10 2.72647e-10 ] [ 1.34708e-10 4.2887e-10 4.09361e-10 ] [ 2.73598e-10 7.66444e-12 2.67003e-10 ] [ 4.1072e-10 1.37855e-10 3.98819e-10 ] [ 2.71459e-10 2.70679e-10 -9.21964e-12 ] [ 4.08895e-10 4.12737e-10 1.11939e-10 ] ] "source-value" [ [ -0.0132742 0.0797855 -0.0480858 ] [ 1.38077 1.28242 1.3281 ] [ 0.0139699 2.87381 2.72647 ] [ 1.34708 4.2887 4.09361 ] [ 2.73598 0.0766444 2.67003 ] [ 4.1072 1.37855 3.98819 ] [ 2.71459 2.70679 -0.0921964 ] [ 4.08895 4.12737 1.11939 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 2.489447774027115e-17 "source-value" 155.37911 } }