{ "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" [ 5.41394 0 0 ] "si-unit" "m" "si-value" [ 5.413940000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0321649 5.43167 0 ] "si-unit" "m" "si-value" [ 3.216490000000001e-12 5.431670000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.034689 -0.0250046 5.52467 ] "si-unit" "m" "si-value" [ -3.4689e-12 -2.50046e-12 5.52467e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0104706 0.0216981 0.0176006 ] [ 1.39448 1.38403 1.49781 ] [ 0.0179868 2.6904 2.7801 ] [ 1.33759 4.02716 4.17727 ] [ 2.6683 -0.0231463 2.83015 ] [ 4.02805 1.42643 4.22871 ] [ 2.71964 2.8128 -0.0574889 ] [ 4.09713 4.0529 1.34951 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.04706e-12 2.16981e-12 1.76006e-12 ] [ 1.39448e-10 1.38403e-10 1.49781e-10 ] [ 1.79868e-12 2.6904e-10 2.7801e-10 ] [ 1.33759e-10 4.02716e-10 4.17727e-10 ] [ 2.6683e-10 -2.31463e-12 2.83015e-10 ] [ 4.02805e-10 1.42643e-10 4.228710000000001e-10 ] [ 2.71964e-10 2.8128e-10 -5.74889e-12 ] [ 4.09713e-10 4.052900000000001e-10 1.34951e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4181614 0.2342797 0.4598328 ] [ -0.0674959 -0.1336718 -1.4203608 ] [ -0.4806434 0.2817881 0.2940359 ] [ -0.4178627 0.9168285 -0.527761 ] [ 0.7013317 -0.0158388 0.0117084 ] [ 0.1909509 -0.811174 -0.9558212 ] [ -0.1404294 -1.009389 1.5401618 ] [ -0.2040125 0.5371773 0.5982042 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.699684188009971e-10 3.753574580680378e-10 7.367333616370023e-10 ] [ -1.081403529798547e-10 -2.141658328202535e-10 -2.275668866860785e-09 ] [ -7.700756184218228e-10 4.514743058396525e-10 4.710974446558867e-10 ] [ -6.694898486443642e-10 1.468921187983133e-09 -8.455663355700289e-10 ] [ 1.123657253165919e-09 -2.537655506152704e-11 1.875892474697472e-11 ] [ 3.059370677007187e-10 -1.299644018200819e-09 -1.531394380305001e-09 ] [ -2.249927015529715e-10 -1.617219457092691e-09 2.467611228209245e-09 ] [ -3.2686405785096e-10 8.606529112844678e-10 9.584287837043674e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -22.405248 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.589716452882596e-18 } }