{ "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" [ 5.40534 0 0 ] "si-unit" "m" "si-value" [ 5.40534e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0241155 5.39517 0 ] "si-unit" "m" "si-value" [ 2.41155e-12 5.395170000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0520891 0.00914509 5.32386 ] "si-unit" "m" "si-value" [ -5.20891e-12 9.14509e-13 5.32386e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0541257 0.0304247 -0.104173 ] [ 1.34 1.36746 1.32858 ] [ -0.0983731 2.60813 2.63031 ] [ 1.3236 4.08084 4.09012 ] [ 2.69861 0.0115312 2.71277 ] [ 4.03614 1.39677 4.05029 ] [ 2.56533 2.8449 0.01686 ] [ 4.17154 4.11014 1.29552 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.41257e-12 3.04247e-12 -1.04173e-11 ] [ 1.34e-10 1.36746e-10 1.32858e-10 ] [ -9.837310000000001e-12 2.60813e-10 2.63031e-10 ] [ 1.3236e-10 4.08084e-10 4.09012e-10 ] [ 2.69861e-10 1.15312e-12 2.71277e-10 ] [ 4.03614e-10 1.39677e-10 4.05029e-10 ] [ 2.56533e-10 2.8449e-10 1.686e-12 ] [ 4.17154e-10 4.11014e-10 1.29552e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.1634574 -0.0461764 4.4483767 ] [ -0.8110717 -1.5063178 -1.165891 ] [ 3.5913013 3.2902838 1.5103141 ] [ -5.9376242 3.6142561 -9.7806804 ] [ 0.2137639 -0.4096417 -0.1676689 ] [ -5.9363228 2.4506871 -0.9528653 ] [ 9.0776762 -6.6452348 5.7287653 ] [ -4.3611802 -0.7478563 0.3796494 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.670594162934391e-09 -7.398274912223759e-11 7.127085207970026e-09 ] [ -1.299480126238658e-09 -2.413387182538285e-09 -1.867963317990894e-09 ] [ 5.753899028513824e-09 5.271615823588728e-09 2.419789961020739e-09 ] [ -9.513122754712943e-09 5.790676672711967e-09 -1.567037760150177e-08 ] [ 3.424875257727125e-10 -6.563183600520377e-10 -2.686351938284826e-10 ] [ -9.511037682041454e-09 3.926433608865221e-09 -1.5266585190094e-09 ] [ 1.454404069865791e-08 -1.064683992400366e-08 9.17849390533e-09 ] [ -6.987381013103446e-09 -1.198197889449694e-09 6.082653977921196e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -34.663232 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.553662036932109e-18 } }