{ "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" [ 5.5417 0 0 ] "si-unit" "m" "si-value" [ 5.5417e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0877832 5.55439 0 ] "si-unit" "m" "si-value" [ -8.77832e-12 5.55439e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0308884 0.040745 5.63916 ] "si-unit" "m" "si-value" [ 3.08884e-12 4.074500000000001e-12 5.63916e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.159411 -0.0874723 -0.00774134 ] [ 1.28203 1.40365 1.4018 ] [ -0.0744566 2.77196 2.86869 ] [ 1.41795 4.01233 4.00515 ] [ 2.72183 0.105785 2.67146 ] [ 4.038 1.47487 4.29534 ] [ 2.69485 2.74872 0.0100738 ] [ 4.0446 4.15007 1.27967 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.59411e-11 -8.747230000000001e-12 -7.74134e-13 ] [ 1.28203e-10 1.40365e-10 1.4018e-10 ] [ -7.44566e-12 2.77196e-10 2.86869e-10 ] [ 1.41795e-10 4.01233e-10 4.00515e-10 ] [ 2.72183e-10 1.05785e-11 2.67146e-10 ] [ 4.038e-10 1.47487e-10 4.29534e-10 ] [ 2.69485e-10 2.74872e-10 1.00738e-12 ] [ 4.0446e-10 4.150070000000001e-10 1.27967e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.1156408 -0.6002777 -3.5973825 ] [ -0.6996286 -0.0764542 -0.6753506 ] [ -1.1285723 -0.5903497 -1.7124581 ] [ -2.1412271 4.0296543 4.1273948 ] [ 0.7604077 -1.0859163 0.9311608 ] [ 0.6900956 -1.3143024 -1.0405855 ] [ -0.97918 0.2125736 -0.3422761 ] [ -0.6175361 -0.5749275 2.3094972 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.593983523697067e-09 -9.617509048512617e-10 -5.763642185060505e-09 ] [ -1.120928595398132e-09 -1.224931328111628e-10 -1.08203095107788e-09 ] [ -1.808172168839638e-09 -9.458444952289096e-10 -2.743660354524035e-09 ] [ -3.430624027707581e-09 6.456217962557626e-09 6.612815507853103e-09 ] [ 1.218307449253682e-09 -1.739829722339734e-09 1.491884076256747e-09 ] [ 1.10565504554621e-09 -2.105744595290121e-09 -1.667201773779207e-09 ] [ -1.56881931648012e-09 3.405804549252624e-10 -5.483867697966474e-10 ] [ -9.894019100714874e-10 -9.21135406744035e-10 3.700222450128425e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.604266 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.704432305592064e-18 } }