{ "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" [ 5.44141 0 0 ] "si-unit" "m" "si-value" [ 5.441410000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0387259 5.36248 0 ] "si-unit" "m" "si-value" [ 3.87259e-12 5.36248e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.184794 -0.00314768 5.51994 ] "si-unit" "m" "si-value" [ -1.84794e-11 -3.14768e-13 5.51994e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.139299 -0.0133288 0.0135909 ] [ 1.42253 1.35934 1.29237 ] [ 0.0199653 2.64656 2.62294 ] [ 1.43068 4.14401 3.95964 ] [ 2.73386 -0.0804287 2.7169 ] [ 4.04879 1.39288 4.20461 ] [ 2.82765 2.77065 0.103593 ] [ 4.1636 4.04392 1.34337 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.39299e-11 -1.33288e-12 1.35909e-12 ] [ 1.42253e-10 1.35934e-10 1.29237e-10 ] [ 1.99653e-12 2.64656e-10 2.62294e-10 ] [ 1.43068e-10 4.14401e-10 3.95964e-10 ] [ 2.73386e-10 -8.042870000000001e-12 2.7169e-10 ] [ 4.04879e-10 1.39288e-10 4.20461e-10 ] [ 2.827650000000001e-10 2.77065e-10 1.03593e-11 ] [ 4.1636e-10 4.04392e-10 1.34337e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.7140442 0.5154537 -1.2327213999999997 ] [ -0.7129827 -1.2419352 0.5188951999999999 ] [ 0.7314107 0.4262365 1.7806005999999999 ] [ -3.4654235 -2.8179639 3.3270884999999994 ] [ 1.7963814 3.4904315 -1.2142872999999998 ] [ -1.6923639 0.847572 -1.8723046999999997 ] [ -0.583597 -0.6353975 -3.0664811999999997 ] [ -0.7874691 -0.5843972 1.7592101999999998 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.552731468883223e-09 8.258478740488457e-10 -1.975037423311767e-09 ] [ -1.142324222386232e-09 -1.989799558382117e-09 8.313617649347566e-10 ] [ 1.171849133397584e-09 6.82906160857941e-10 2.85283667580638e-09 ] [ -5.552220558614498e-09 -4.514875916035513e-09 5.330583453950108e-09 ] [ 2.878120304832207e-09 5.592287791877571e-09 -1.945502739022948e-09 ] [ -2.711465896805112e-09 1.357960054032648e-09 -2.999762842068379e-09 ] [ -9.35025477072498e-10 -1.018019027802015e-09 -4.91304452724028e-09 ] [ -1.261664592017009e-09 -9.363075388150245e-10 2.818565476734466e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.318504 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.658648185663553e-18 } }