{ "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" [ 5.5417 0 0 ] "si-unit" "m" "si-value" [ 5.5417e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0877832 5.55439 0 ] "si-unit" "m" "si-value" [ -8.77832e-12 5.55439e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0308884 0.040745 5.63916 ] "si-unit" "m" "si-value" [ 3.08884e-12 4.074500000000001e-12 5.63916e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.159411 -0.0874723 -0.00774134 ] [ 1.28203 1.40365 1.4018 ] [ -0.0744566 2.77196 2.86869 ] [ 1.41795 4.01233 4.00515 ] [ 2.72183 0.105785 2.67146 ] [ 4.038 1.47487 4.29534 ] [ 2.69485 2.74872 0.0100738 ] [ 4.0446 4.15007 1.27967 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.59411e-11 -8.747230000000001e-12 -7.74134e-13 ] [ 1.28203e-10 1.40365e-10 1.4018e-10 ] [ -7.44566e-12 2.77196e-10 2.86869e-10 ] [ 1.41795e-10 4.01233e-10 4.00515e-10 ] [ 2.72183e-10 1.05785e-11 2.67146e-10 ] [ 4.038e-10 1.47487e-10 4.29534e-10 ] [ 2.69485e-10 2.74872e-10 1.00738e-12 ] [ 4.0446e-10 4.150070000000001e-10 1.27967e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 5.0648829 -1.0963296 -4.5722233 ] [ -0.9390362 -0.2114421 -0.5796719 ] [ -1.0888382 -0.6059034 -1.954221 ] [ -2.8689542 4.9177915 5.0333055 ] [ 0.8449676 -1.2923941 0.9672274 ] [ 0.7556241 -1.577412 -0.9638906 ] [ -1.1162582 0.2300467 -0.614825 ] [ -0.652388 -0.364357 2.684299 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.114837036326157e-09 -1.756513668282566e-09 -7.325509336690372e-09 ] [ -1.504501858120151e-09 -3.387675920638914e-10 -9.287367735663845e-10 ] [ -1.744511122246619e-09 -9.707642699411555e-10 -3.131007223872113e-09 ] [ -4.596571383256162e-09 7.87917063218381e-09 8.064244463883687e-09 ] [ 1.353787345207058e-09 -2.070643628939459e-09 1.549669140044571e-09 ] [ 1.210643277107279e-09 -2.527292648591208e-09 -1.54432299705224e-09 ] [ -1.788442805550899e-09 3.685754474688078e-10 -9.850582489990498e-10 ] [ -1.045240809901992e-09 -5.837642718343379e-10 4.300721136469566e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.339663 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.662038231203434e-18 } }