{ "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" [ [ -2.6252698 2.5205827 -3.2749646 ] [ 1.7302358 -1.1637402 0.7419043 ] [ -0.9598741 -0.1860704 -0.844806 ] [ 1.9371845 -0.7083504 2.8426853 ] [ -0.417727 -0.0538871 -1.8667072 ] [ 3.0016027 -2.5609282 2.8699958 ] [ -1.536288 1.7867279 -0.9394912 ] [ -1.1298642 0.3656658 0.4713836 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.206145931505853e-09 4.038418706004631e-09 -5.247071759297156e-09 ] [ 2.772143370070297e-09 -1.864517356486487e-09 1.188661734124126e-09 ] [ -1.537887854601779e-09 -2.981176471590335e-10 -1.353528433463004e-09 ] [ 3.103711741646973e-09 -1.134902459564554e-09 4.55448396547528e-09 ] [ -6.69272438790918e-10 -8.63366524940214e-11 -2.990794658359565e-09 ] [ 4.80909771049131e-09 -4.103059323391679e-09 4.598240210438136e-09 ] [ -2.461404736694592e-09 2.862653692695888e-09 -1.505230848488621e-09 ] [ -1.810242020833103e-09 5.858612006129171e-10 7.552397895708023e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 0.16098639843752238 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.579286459684124e-20 } }