{ "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" [ 5.4737 0 0 ] "si-unit" "m" "si-value" [ 5.4737e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00330015 5.48579 0 ] "si-unit" "m" "si-value" [ -3.30015e-13 5.48579e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0734366 -0.160082 5.49307 ] "si-unit" "m" "si-value" [ 7.34366e-12 -1.60082e-11 5.49307e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.150853 0.00970189 0.0764733 ] [ 1.36952 1.32009 1.51972 ] [ 0.0340703 2.70337 2.97189 ] [ 1.37909 3.89909 4.39384 ] [ 2.73154 -0.0872152 2.86586 ] [ 4.10719 1.23544 4.14892 ] [ 2.70311 2.76853 0.030971 ] [ 4.04883 4.00647 1.36661 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.50853e-11 9.70189e-13 7.647329999999999e-12 ] [ 1.36952e-10 1.32009e-10 1.51972e-10 ] [ 3.40703e-12 2.70337e-10 2.97189e-10 ] [ 1.37909e-10 3.89909e-10 4.39384e-10 ] [ 2.73154e-10 -8.72152e-12 2.86586e-10 ] [ 4.10719e-10 1.23544e-10 4.148920000000001e-10 ] [ 2.70311e-10 2.76853e-10 3.0971e-12 ] [ 4.04883e-10 4.00647e-10 1.36661e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.0695345 2.1977016 0.7171082 ] [ -0.7414417 2.3530725 -4.0230707 ] [ -4.2489867 -1.5644464 -7.2305955 ] [ -4.6328025 15.913412 -8.737762 ] [ -3.8388908 -8.0471919 -1.3106997 ] [ 1.8859794 3.7211285 5.1740789 ] [ 3.838687 -17.9832799 5.4994547 ] [ 4.6679208 3.4096037 9.9114862 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.917936412639018e-09 3.521106123014753e-09 1.14893399262397e-09 ] [ -1.187920557426207e-09 3.770037746547408e-09 -6.44566981936549e-09 ] [ -6.807627152830143e-09 -2.506519446574725e-09 -1.158469106456168e-08 ] [ -7.422567854283793e-09 2.549609666355817e-08 -1.399943799451465e-08 ] [ -6.150581089564209e-09 -1.289302272527113e-08 -2.099972416229574e-09 ] [ 3.021672101990412e-09 5.961905085692573e-09 8.289788247754581e-09 ] [ 6.15025456596889e-09 -2.881239062108256e-08 8.811097747488677e-09 ] [ 7.478833573506032e-09 5.462787334333177e-09 1.587995146702183e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -33.593689 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.382302312222613e-18 } }