{ "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" [ 5.39006 0 0 ] "si-unit" "m" "si-value" [ 5.39006e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.23331 5.36322 0 ] "si-unit" "m" "si-value" [ 2.3331e-11 5.36322e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.160148 -0.0213292 5.4933 ] "si-unit" "m" "si-value" [ -1.60148e-11 -2.13292e-12 5.4933e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.105355 0.0424721 -0.0304949 ] [ 1.33629 1.36991 1.45967 ] [ -0.05353 2.71357 2.83859 ] [ 1.26119 4.17265 4.20892 ] [ 2.69817 -0.0783338 2.63037 ] [ 3.99124 1.24872 4.05842 ] [ 2.76699 2.61469 0.0747626 ] [ 4.02836 3.96527 1.47431 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.05355e-11 4.24721e-12 -3.04949e-12 ] [ 1.33629e-10 1.36991e-10 1.45967e-10 ] [ -5.353e-12 2.71357e-10 2.83859e-10 ] [ 1.26119e-10 4.17265e-10 4.20892e-10 ] [ 2.69817e-10 -7.83338e-12 2.63037e-10 ] [ 3.99124e-10 1.24872e-10 4.05842e-10 ] [ 2.76699e-10 2.61469e-10 7.47626e-12 ] [ 4.02836e-10 3.96527e-10 1.47431e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -42.9574288 40.8616357 49.5299119 ] [ -1.6121668 -0.8568345 -1.5427829 ] [ 4.7829124 -0.1532768 3.1239232 ] [ 45.1479188 -46.6682967 -48.2073976 ] [ -37.0145911 37.2197156 41.1967918 ] [ -2.7566541 0.895666 1.13953 ] [ -1.6752347 1.9323657 -5.1017816 ] [ 36.0852444 -33.2309751 -40.1381948 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.88253881130406e-08 6.546755740618664e-08 7.935566687646371e-08 ] [ -2.58297595578995e-09 -1.372800203794858e-09 -2.471810693350024e-09 ] [ 7.663070426614419e-09 -2.455765054710374e-10 5.005076716214722e-09 ] [ 7.233493997913678e-08 -7.47708539052978e-08 -7.723676538433003e-08 ] [ -5.930391248889175e-08 5.963255816714504e-08 6.600453667392515e-08 ] [ -4.416646750652465e-09 1.435015125245453e-09 1.825728324700224e-09 ] [ -2.684021870692902e-09 3.095991147375827e-09 -8.173955203947617e-09 ] [ 5.781493493353413e-08 -5.324189139160695e-08 -6.430847730967614e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -19.600749 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.140386179796898e-18 } }