{ "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" [ 5.40884 0 0 ] "si-unit" "m" "si-value" [ 5.40884e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0760511 5.4684 0 ] "si-unit" "m" "si-value" [ 7.60511e-12 5.4684e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0640574 0.226818 5.41063 ] "si-unit" "m" "si-value" [ 6.40574e-12 2.26818e-11 5.41063e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00830896 0.0131794 0.144184 ] [ 1.38941 1.30499 1.31845 ] [ 0.000666759 2.66681 2.72971 ] [ 1.38566 4.09949 4.22322 ] [ 2.74889 -0.0321093 2.66684 ] [ 4.05308 1.21875 4.179 ] [ 2.6535 2.74282 -0.0977168 ] [ 4.21539 3.9917 1.44444 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -8.308960000000001e-13 1.31794e-12 1.44184e-11 ] [ 1.38941e-10 1.30499e-10 1.31845e-10 ] [ 6.667589999999999e-14 2.66681e-10 2.72971e-10 ] [ 1.38566e-10 4.099490000000001e-10 4.223220000000001e-10 ] [ 2.74889e-10 -3.21093e-12 2.66684e-10 ] [ 4.05308e-10 1.21875e-10 4.179e-10 ] [ 2.6535e-10 2.74282e-10 -9.771680000000001e-12 ] [ 4.21539e-10 3.9917e-10 1.44444e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.8114016 -3.3305781 -0.2162484 ] [ 0.4453234 1.7045863 0.9037408 ] [ 1.7438821 -1.3433782 2.3201122 ] [ -3.017054 3.3066241 -4.2659518 ] [ -0.640781 -1.2514593 1.4248737 ] [ -1.3162933 3.4456578 -1.8323258 ] [ 4.4583265 -3.3690186 3.8555109 ] [ -2.4848053 0.837566 -2.1897117 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.300008673599713e-09 -5.336174365568485e-09 -3.464681307654068e-10 ] [ 7.134867401751667e-10 2.731048317995975e-09 1.447952381023089e-09 ] [ 2.794007130051608e-09 -2.152329144932387e-09 3.717229524472854e-09 ] [ -4.833853382491123e-09 5.297795826793842e-09 -6.834808239419678e-09 ] [ -1.026644337252845e-09 -2.005058832342734e-09 2.282899329732793e-09 ] [ -2.108934351375681e-09 5.520552370437162e-09 -2.935709558448657e-09 ] [ 7.143026486193092e-09 -5.397762835960347e-09 6.177209425219567e-09 ] [ -3.98109695889993e-09 1.341928663576973e-09 -3.508304892032224e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.188381 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.637800136200293e-18 } }