{ "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" [ [ 3.5244392 -3.8726653 5.1406373 ] [ -2.2937475 1.5298788 -1.1708602 ] [ 0.5678786 0.3741824 1.29982 ] [ -2.7889329 1.1535906 -4.0491239 ] [ 0.5305618 0.6211483 2.3558479 ] [ -3.975395 3.7547984 -4.587766 ] [ 2.2758888 -2.5068914 1.2781069 ] [ 2.1593069 -1.0540418 -0.266662 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.646774087671056e-09 -6.204693803843418e-09 8.236208898072436e-09 ] [ -3.674988618518448e-09 2.451136046017559e-09 -1.875924838665212e-09 ] [ 9.098418163726348e-10 5.995062931948339e-10 2.082541215248256e-09 ] [ -4.468363089359944e-09 1.848255889294645e-09 -6.487411647302517e-09 ] [ 8.500537118495654e-10 9.951892843096646e-10 3.774484427540777e-09 ] [ -6.369284927445216e-09 6.015850212297247e-09 -7.350411426901133e-09 ] [ 3.646375826900567e-09 -4.016482791964582e-09 2.047752994063164e-09 ] [ 3.459591032312123e-09 -1.688761129305949e-09 -4.272396220557696e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.053711 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.616223623647979e-18 } }