{ "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" [ [ -75.5166806 68.2635943 58.399159 ] [ -18.0441422 -18.2432328 15.986807 ] [ 0.9579835 1.7486364 -0.8269784 ] [ 76.5987868 -68.7247252 -58.5676581 ] [ -40.4041289 -38.5676554 -25.8754973 ] [ 37.2553519 39.5300719 28.2294544 ] [ 17.2757826 17.2207209 -16.8391785 ] [ 1.877047 -1.22741 -0.5061082 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.209910601377409e-07 1.093703348392361e-07 9.35657672241819e-08 ] [ -2.890990277523068e-08 -2.922888107997173e-08 2.561368841664179e-08 ] [ 1.534858766812157e-09 2.801624358359877e-09 -1.324965458386591e-09 ] [ 1.227247853926037e-07 -1.101091479863446e-07 -9.383573254282776e-08 ] [ -6.473455070736963e-08 -6.179219580095087e-08 -4.145711682563352e-08 ] [ 5.968965381385686e-08 6.333415701672304e-08 4.52285718576197e-08 ] [ 2.767885498774344e-08 2.759063641930193e-08 -2.697933810617801e-08 ] [ 3.007360819542778e-09 -1.966527606136128e-09 -8.108747256351707e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -37.44644 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.999581070018996e-18 } }