{ "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" [ [ 5.3430493 3.9670579 -4.5574321 ] [ -2.2338565 0.6302824 -1.7425384 ] [ -3.969743 -2.1847835 -4.5202836 ] [ 2.1651992 4.5249585 4.6218689 ] [ 2.492085 -2.0675916 1.7020599 ] [ 1.3863534 -2.7806552 -1.9912755 ] [ -2.6671433 0.6706353 -0.127076 ] [ -2.515944 -2.7599038 6.6146768 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.560508742770055e-09 6.355927473105108e-09 -7.30181122166155e-09 ] [ -3.579032688009021e-09 1.009823734101441e-09 -2.791854308327745e-09 ] [ -6.36022947758506e-09 -3.500409074048739e-09 -7.242292762973401e-09 ] [ 3.469031566195493e-09 7.249782778519688e-09 7.405050356991282e-09 ] [ 3.992760356941889e-09 -3.312646950174674e-09 2.727000601448376e-09 ] [ 2.221183023946455e-09 -4.455100788650596e-09 -3.190375077956667e-09 ] [ -4.273234674789652e-09 1.07447620759558e-09 -2.03598197942184e-10 ] [ -4.030986689252496e-09 -4.421853380447809e-09 1.059788061042189e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -34.55132 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.535731757785687e-18 } }