{ "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" [ 5.33408 0 0 ] "si-unit" "m" "si-value" [ 5.33408e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.034982 5.4373 0 ] "si-unit" "m" "si-value" [ 3.4982e-12 5.437299999999999e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.179208 0.185424 5.40079 ] "si-unit" "m" "si-value" [ 1.79208e-11 1.85424e-11 5.40079e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0492126 -0.0420999 -0.0477888 ] [ 1.41891 1.35069 1.31795 ] [ 0.0600152 2.70621 2.67075 ] [ 1.52388 3.98641 4.19062 ] [ 2.7955 -0.0317733 2.51171 ] [ 4.14719 1.34284 3.96242 ] [ 2.77343 2.76788 -0.181612 ] [ 4.04692 4.12597 1.21449 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.92126e-12 -4.209990000000001e-12 -4.77888e-12 ] [ 1.41891e-10 1.35069e-10 1.31795e-10 ] [ 6.00152e-12 2.70621e-10 2.67075e-10 ] [ 1.52388e-10 3.98641e-10 4.19062e-10 ] [ 2.7955e-10 -3.17733e-12 2.51171e-10 ] [ 4.14719e-10 1.34284e-10 3.96242e-10 ] [ 2.77343e-10 2.76788e-10 -1.81612e-11 ] [ 4.04692e-10 4.12597e-10 1.21449e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 18.0600676 4.6478294 -3.5297869 ] [ -2.2192781 3.9023723 -10.4317496 ] [ 5.1652803 10.9574254 -4.5434027 ] [ -57.7894578 45.232933 -47.0174639 ] [ -7.6564505 6.2974403 21.0021041 ] [ -13.5932672 -1.0040883 0.2779076 ] [ 55.98918 -45.6342946 45.9977428 ] [ 2.0439258 -24.3996175 -1.7553514 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.893541831718046e-08 7.446643663498239e-09 -5.655342094179294e-09 ] [ -3.555675516167915e-09 6.252289716228838e-09 -1.671350546085885e-08 ] [ 8.27569140472051e-09 1.75557309446781e-08 -7.279333644792511e-09 ] [ -9.258891897868904e-08 7.247114833988752e-08 -7.53302820505185e-08 ] [ -1.226698609047761e-08 1.008961170266995e-08 3.36490804538556e-08 ] [ -2.17788150875586e-08 -1.608726812732782e-09 4.452570631310183e-10 ] [ 8.97045559528201e-08 -7.311420051719236e-08 7.369650873090172e-08 ] [ 3.274730158389757e-09 -3.909249703703749e-08 -2.812382997539187e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.97927 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.681684946037718e-18 } }