{ "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" [ [ 2.9511183 -3.2006788 4.1950636 ] [ -2.0454068 1.3293825 -0.739034 ] [ 3.5576842 3.5961356 4.7167117 ] [ -5.5347947 -2.1538912 -7.088156 ] [ 0.4064753 0.5392341 1.9878525 ] [ -3.3779367 3.1269682 -3.7799063 ] [ 1.890395 -2.2281676 0.7735353 ] [ 2.1524654 -1.0089828 -0.0660668 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.728212784429802e-09 -5.128052786299158e-09 6.721232878063921e-09 ] [ -3.277102981984711e-09 2.129905579148505e-09 -1.184063006531556e-09 ] [ 5.700038496390982e-09 5.76164443101557e-09 7.557005275054418e-09 ] [ -8.867718742327039e-09 -3.450914152818221e-09 -1.13564779213469e-08 ] [ 6.512452279581401e-10 8.639482752760194e-10 3.184890827338485e-09 ] [ -5.412051251871067e-09 5.009955385301038e-09 -6.056077552569393e-09 ] [ 3.02874669803043e-09 -3.569918065355858e-09 1.23934018323418e-09 ] [ 3.448629769373464e-09 -1.616568666267895e-09 -1.058506832431512e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.083564 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.621006647824358e-18 } }