{ "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" [ 5.4 0 0 ] "si-unit" "m" "si-value" [ 5.400000000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.386566 5.8038 0 ] "si-unit" "m" "si-value" [ 3.86566e-11 5.8038e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.433064 -0.220286 5.20849 ] "si-unit" "m" "si-value" [ -4.33064e-11 -2.20286e-11 5.20849e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0990081 -0.244555 -0.290689 ] [ 1.37678 1.31208 1.41317 ] [ 0.146167 2.66383 2.23753 ] [ 1.10278 3.83154 3.71513 ] [ 2.55958 0.422069 2.77183 ] [ 3.95966 1.45431 4.3569 ] [ 2.78855 2.68274 0.381413 ] [ 4.33575 3.68618 1.46711 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -9.90081e-12 -2.44555e-11 -2.90689e-11 ] [ 1.37678e-10 1.31208e-10 1.41317e-10 ] [ 1.46167e-11 2.66383e-10 2.23753e-10 ] [ 1.10278e-10 3.83154e-10 3.71513e-10 ] [ 2.55958e-10 4.22069e-11 2.77183e-10 ] [ 3.95966e-10 1.45431e-10 4.356900000000001e-10 ] [ 2.78855e-10 2.68274e-10 3.81413e-11 ] [ 4.33575e-10 3.68618e-10 1.46711e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.0324665000000002 -3.964235500000001 7.799128000000001 ] [ -2.3446157000000003 -1.6678609000000004 -5.661881100000001 ] [ -0.8700313000000002 -3.364479300000001 6.216691200000001 ] [ 2.5793574000000006 -0.8341926000000002 3.557800100000001 ] [ 0.6437856000000001 -4.733153500000001 1.1763838000000002 ] [ 2.5343918000000003 3.601013500000001 -3.131452100000001 ] [ -2.2181493000000003 1.4859137000000002 -3.6457214000000007 ] [ 0.7077281000000001 9.476994500000002 -6.310948400000002 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.654193688059204e-09 -6.3514054374454e-09 1.249558054422667e-08 ] [ -3.756488459300627e-09 -2.672207740726447e-09 -9.07133352816939e-09 ] [ -1.393943808224231e-09 -5.390490075625551e-09 9.960237299373099e-09 ] [ 4.132586122967475e-09 -1.336523880964366e-09 5.700224141699904e-09 ] [ 1.031458237127701e-09 -7.583347880357696e-09 1.884774621447863e-09 ] [ 4.06054328990723e-09 5.769459640885183e-09 -5.017139343775066e-09 ] [ -3.553866949903886e-09 2.380696190666426e-09 -5.841089593030247e-09 ] [ 1.133905415703205e-09 1.518381902335019e-08 -1.011125398155517e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -24.37546 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.905379213324557e-18 } }