{ "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" [ 5.47373 0 0 ] "si-unit" "m" "si-value" [ 5.47373e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.128217 5.8305 0 ] "si-unit" "m" "si-value" [ -1.28217e-11 5.8305e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.28854 -0.0943746 5.99929 ] "si-unit" "m" "si-value" [ 2.8854e-11 -9.437460000000001e-12 5.99929e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.153552 -0.151682 0.285368 ] [ 1.56659 1.11428 1.80298 ] [ 0.0114317 2.78427 2.63644 ] [ 1.58247 4.14354 3.67768 ] [ 2.87662 -0.0580046 2.88139 ] [ 4.22527 1.43863 4.17233 ] [ 2.56962 2.98931 0.105287 ] [ 4.06718 4.1162 1.17836 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.53552e-11 -1.51682e-11 2.85368e-11 ] [ 1.56659e-10 1.11428e-10 1.80298e-10 ] [ 1.14317e-12 2.78427e-10 2.63644e-10 ] [ 1.58247e-10 4.14354e-10 3.67768e-10 ] [ 2.87662e-10 -5.800460000000001e-12 2.88139e-10 ] [ 4.22527e-10 1.43863e-10 4.17233e-10 ] [ 2.56962e-10 2.98931e-10 1.05287e-11 ] [ 4.067179999999999e-10 4.1162e-10 1.17836e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.1321825 3.6017822 -1.3705516 ] [ -2.6452875 2.7351401 -5.3849496 ] [ -1.0957474 -0.7677593 -1.2403454 ] [ 2.9570178 -4.4118915 9.5745818 ] [ 3.7216223 -0.802623 -1.8424817 ] [ -1.5702964 1.6010995 3.4783062 ] [ -3.0928557 -2.4935055 -7.8797743 ] [ -0.4066356 0.5377573 4.6652145 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.416132980923705e-09 5.770691281597114e-09 -2.195865749211314e-09 ] [ -4.238217822712274e-09 4.382177558936423e-09 -8.627640424387646e-09 ] [ -1.755580881046251e-09 -1.230086010996196e-09 -1.987252417969383e-09 ] [ 4.737664825482084e-09 -7.068629473043211e-09 1.534017124028166e-08 ] [ 5.962696289633337e-09 -1.285943816510982e-09 -2.951981128312598e-09 ] [ -2.515892200534317e-09 2.565244207609082e-09 5.57286091953733e-09 ] [ -4.955301134873713e-09 -3.995036248850486e-09 -1.262479026465371e-08 ] [ -6.515020568725704e-10 8.615821808229281e-10 7.474497664497993e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -26.360751 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.223457930689213e-18 } }