{ "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" [ [ 6.8235477 -7.168577 9.9998783 ] [ -4.0787822 2.5908926 -2.2196273 ] [ 0.8972588 0.439287 2.2709754 ] [ -4.9921263 2.2520608 -7.549678 ] [ 1.3087869 0.594372 4.7 ] [ -7.8890799 7.1944125 -8.8554002 ] [ 4.4696094 -4.5928287 2.9291844 ] [ 3.4607858 -1.3096193 -1.2753327 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.093252859585361e-08 -1.14853264738046e-08 1.602157122310525e-08 ] [ -6.53492948217519e-09 4.151067550723726e-09 -3.556234966949428e-09 ] [ 1.437567072167063e-09 7.038153612213696e-10 3.638503692291928e-09 ] [ -7.998268045940806e-09 3.608199162380145e-09 -1.20959175861681e-08 ] [ 2.096907772789308e-09 9.522889224581376e-10 7.53023011776e-09 ] [ -1.26396993754032e-08 1.152671950789128e-08 -1.418791516826764e-08 ] [ 7.161103684787916e-09 -7.358522766479258e-09 4.693070763692075e-09 ] [ 5.544790098356625e-09 -2.098241424608462e-09 -2.04330823568174e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -33.735515 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.405025342364771e-18 } }