{ "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" [ 5.43182 0 0 ] "si-unit" "m" "si-value" [ 5.43182e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00436542 5.42411 0 ] "si-unit" "m" "si-value" [ -4.36542e-13 5.42411e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.250705 -0.013062 5.36378 ] "si-unit" "m" "si-value" [ 2.50705e-11 -1.3062e-12 5.36378e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00336868 -0.0347308 0.0739509 ] [ 1.33721 1.36002 1.29514 ] [ 0.0804819 2.71297 2.74807 ] [ 1.4297 4.00589 4.14244 ] [ 2.76212 -0.0429027 2.66501 ] [ 4.31635 1.33651 3.99144 ] [ 2.62716 2.67896 0.144482 ] [ 3.97118 3.97277 1.25678 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.36868e-13 -3.47308e-12 7.395090000000001e-12 ] [ 1.33721e-10 1.36002e-10 1.29514e-10 ] [ 8.04819e-12 2.71297e-10 2.74807e-10 ] [ 1.4297e-10 4.00589e-10 4.14244e-10 ] [ 2.76212e-10 -4.29027e-12 2.66501e-10 ] [ 4.31635e-10 1.33651e-10 3.99144e-10 ] [ 2.62716e-10 2.67896e-10 1.44482e-11 ] [ 3.97118e-10 3.97277e-10 1.25678e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.4594314 1.3498764 -1.3207153 ] [ -0.7321244 -2.5006208 5.6642379 ] [ 0.348919 2.1277629 -3.7314667 ] [ 3.3466736 -1.0812227 -1.366748 ] [ -0.5590369 0.8252151 0.4083022 ] [ -3.359358 -2.6630419 3.5204637 ] [ -0.0989606 -0.6242533 -8.6206897 ] [ 4.5133186 2.5662843 5.446616 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.542620156005907e-09 2.162740426868037e-09 -2.1160191938263e-09 ] [ -1.172992606861269e-09 -4.006436216254387e-09 9.075109612797227e-09 ] [ 5.590298689586459e-10 3.409052001072078e-09 -5.978468757289088e-09 ] [ 5.361962243544662e-09 -1.732309746090392e-09 -2.189771710166232e-09 ] [ -8.956758587237944e-10 1.322140351243973e-09 6.541722444507947e-10 ] [ -5.382284892840971e-09 -4.266663507542965e-09 5.640404680985185e-09 ] [ -1.585523610066204e-10 -1.000164050957392e-09 -1.381186760630447e-08 ] [ 7.231133602717591e-09 4.111640741661046e-09 8.726440889570543e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.034857 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.613202926093134e-18 } }