{ "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" [ 5.44141 0 0 ] "si-unit" "m" "si-value" [ 5.441410000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0387259 5.36248 0 ] "si-unit" "m" "si-value" [ 3.87259e-12 5.36248e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.184794 -0.00314768 5.51994 ] "si-unit" "m" "si-value" [ -1.84794e-11 -3.14768e-13 5.51994e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.139299 -0.0133288 0.0135909 ] [ 1.42253 1.35934 1.29237 ] [ 0.0199653 2.64656 2.62294 ] [ 1.43068 4.14401 3.95964 ] [ 2.73386 -0.0804287 2.7169 ] [ 4.04879 1.39288 4.20461 ] [ 2.82765 2.77065 0.103593 ] [ 4.1636 4.04392 1.34337 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.39299e-11 -1.33288e-12 1.35909e-12 ] [ 1.42253e-10 1.35934e-10 1.29237e-10 ] [ 1.99653e-12 2.64656e-10 2.62294e-10 ] [ 1.43068e-10 4.14401e-10 3.95964e-10 ] [ 2.73386e-10 -8.042870000000001e-12 2.7169e-10 ] [ 4.04879e-10 1.39288e-10 4.20461e-10 ] [ 2.827650000000001e-10 2.77065e-10 1.03593e-11 ] [ 4.1636e-10 4.04392e-10 1.34337e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 5.5321311 -0.0150802 -0.4753842999999999 ] [ -0.2979605 -1.4254432 0.15562739999999997 ] [ 0.1724033 0.2794526 2.3255417999999994 ] [ -5.0769306 -4.4005808 5.028910299999999 ] [ 3.5044811 4.6971196 -2.9659451999999997 ] [ -1.9756041 2.0101729 -3.0623064999999996 ] [ -1.4640379 -1.1994235 -3.4978239999999996 ] [ -0.3944825 0.0537827 2.4913802999999994 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.863451184644717e-09 -2.41611440760468e-11 -7.61649617630446e-10 ] [ -4.77385350954957e-10 -2.283811788134188e-09 2.493425838901715e-10 ] [ 2.762205388844922e-10 4.477324260305484e-10 3.7259287333503e-09 ] [ -8.134139579759599e-09 -7.050507733789026e-09 8.057202577141928e-09 ] [ 5.614797732714617e-09 7.525615270223426e-09 -4.751968097164456e-09 ] [ -3.165266727054599e-09 3.220652050680018e-09 -4.90635592044632e-09 ] [ -2.345647314670428e-09 -1.921688305970499e-09 -5.604131882644415e-09 ] [ -6.32030644021905e-10 8.61693852534318e-11 3.991631303067909e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.013324 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.609752959147141e-18 } }