{ "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" [ [ 0.7789976 -3.4743574 -0.1603841 ] [ 0.3477681 1.6877418 1.0083696 ] [ 1.7687836 -1.4384826 2.2094642 ] [ -3.2159999 3.7787957 -4.6270527 ] [ -0.5446556 -1.077168 1.4990823 ] [ -1.205961 3.3969751 -2.1669812 ] [ 4.5770081 -4.2294083 4.2823991 ] [ -2.5059408 1.3559036 -2.0448973 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.248091752662078e-09 -5.566534244444992e-09 -2.569636574851194e-10 ] [ 5.571859238705754e-10 2.704060476185101e-09 1.615586211555926e-09 ] [ 2.833903754522402e-09 -2.304703210135568e-09 3.539951914899503e-09 ] [ -5.152599894726336e-09 6.054298175199673e-09 -7.413355720226612e-09 ] [ -8.726344758972504e-10 -1.725813400492512e-09 2.401794633502978e-09 ] [ -1.932162535715274e-09 5.442554131499813e-09 -3.47188664495728e-09 ] [ 7.333175431448733e-09 -6.776259153905662e-09 6.86115977548263e-09 ] [ -4.014959795947266e-09 2.172397065876482e-09 -3.276286672989688e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.916769 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.594283142657555e-18 } }