{ "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" [ [ 3.308997 -3.7486784 4.8888031 ] [ -2.2989379 1.6140609 -1.1109042 ] [ 0.0820642 -0.0223116 0.6664305 ] [ -2.2135666 1.5297086 -3.414458 ] [ 0.4115347 0.5127932 2.3526069 ] [ -3.6584739 3.6173113 -4.3831595 ] [ 2.1555585 -2.4059672 1.2034269 ] [ 2.212824 -1.0969167 -0.2027458 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.301597631697338e-09 -6.006044891377951e-09 7.832726030514564e-09 ] [ -3.683304556051048e-09 2.586010638527407e-09 -1.779864737188527e-09 ] [ 1.314813426446554e-10 -3.574712389264128e-11 1.067739366488055e-09 ] [ -3.546524655103745e-09 2.450863355556699e-09 -5.470564780303527e-09 ] [ 6.593512749879417e-10 8.215852763452185e-10 3.769291773112764e-09 ] [ -5.861521350386998e-09 5.795571595015655e-09 -7.022595676137417e-09 ] [ 3.453585433466717e-09 -3.854784398251638e-09 1.92810244402182e-09 ] [ 3.545334878745139e-09 -1.757454291705088e-09 -3.248345807253926e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -34.301695 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.495737378281226e-18 } }