{ "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" [ 5.41643 0 0 ] "si-unit" "m" "si-value" [ 5.41643e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0584288 5.39313 0 ] "si-unit" "m" "si-value" [ 5.84288e-12 5.39313e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0447548 0.203328 5.3475 ] "si-unit" "m" "si-value" [ -4.47548e-12 2.03328e-11 5.3475e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0133581 0.0277146 -0.124532 ] [ 1.5025 1.22494 1.34546 ] [ 0.0458685 2.70233 2.56072 ] [ 1.46199 4.10879 4.17844 ] [ 2.74075 -0.0340431 2.6907 ] [ 4.13695 1.41216 4.09761 ] [ 2.75898 2.67415 0.0540851 ] [ 4.02257 4.13506 1.27654 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.33581e-12 2.77146e-12 -1.24532e-11 ] [ 1.5025e-10 1.22494e-10 1.34546e-10 ] [ 4.58685e-12 2.70233e-10 2.56072e-10 ] [ 1.46199e-10 4.10879e-10 4.17844e-10 ] [ 2.74075e-10 -3.40431e-12 2.6907e-10 ] [ 4.13695e-10 1.41216e-10 4.09761e-10 ] [ 2.75898e-10 2.67415e-10 5.40851e-12 ] [ 4.02257e-10 4.13506e-10 1.27654e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.4308007 -2.5275587 3.2578843 ] [ -1.565894 0.9738911 -0.6046218 ] [ 0.4382052 0.3288043 1.1341313 ] [ -1.7834064 0.531777 -2.6796315 ] [ 0.4280702 0.390278 1.7249878 ] [ -2.6871573 2.3999347 -3.0114433 ] [ 1.4398044 -1.6338113 0.5531266 ] [ 1.2995772 -0.4633151 -0.3744335 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.894572083450844e-09 -4.049595490203415e-09 5.219706101735446e-09 ] [ -2.508838778120796e-09 1.560345564480557e-09 -9.68710920367021e-10 ] [ 7.020821323372968e-10 5.268025666187261e-10 1.817078668748044e-09 ] [ -2.857332063006057e-09 8.52000683898618e-10 -4.293242977030371e-09 ] [ 6.858440721517067e-10 6.25294292364252e-10 2.763735147095065e-09 ] [ -4.305300637942528e-09 3.8451192994658e-09 -4.824864089875852e-09 ] [ 2.306820967210389e-09 -2.617654289225164e-09 8.862065141638643e-10 ] [ 2.082152223919145e-09 -7.423126273993732e-10 -5.99908604686839e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.549262 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.69561969323441e-18 } }