{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.41643e-10 0.0 0.0 ] "source-value" [ 5.41643 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.84288e-12 5.39313e-10 0.0 ] "source-value" [ 0.0584288 5.39313 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -4.47548e-12 2.03328e-11 5.3475e-10 ] "source-value" [ -0.0447548 0.203328 5.3475 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 2.104440406171999e-09 -1.44316908272169e-09 1.543958809582977e-09 ] [ -1.65060929852315e-09 3.252663673246983e-10 4.064379221172749e-10 ] [ 7.24329951109417e-10 8.146734864030874e-10 -1.229638512931584e-11 ] [ -2.72271812109145e-09 -4.247631376529991e-10 -2.239010585123894e-09 ] [ 4.682417250469729e-10 1.029662838006432e-10 2.126246350416411e-09 ] [ -2.214980339076826e-09 2.766476768958739e-09 -2.528553540769939e-09 ] [ 1.424997355706239e-09 -1.770971054766467e-09 2.217414045363821e-10 ] [ 1.866298320656798e-09 -3.704796313460121e-10 4.814760243701049e-10 ] ] "source-value" [ [ 1.3134884 -0.9007553 0.9636633 ] [ -1.0302293 0.2030153 0.2536786 ] [ 0.4520912 0.5084792 -0.0076748 ] [ -1.699387 -0.2651163 -1.3974805 ] [ 0.2922535 0.0642665 1.3270986 ] [ -1.382482 1.726699 -1.578199 ] [ 0.8894134 -1.1053532 0.1384001 ] [ 1.1648518 -0.2312352 0.3005137 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 1.077483852761059e-16 "source-value" 672.51253 } }