{ "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" [ [ 5.3276358 3.5398375 -4.5135728 ] [ -1.9648838 0.3075037 -1.481091 ] [ -3.5706853 -1.9920817 -4.2503154 ] [ 1.4916522 4.6284406 4.6586984 ] [ 2.0892953 -1.9593383 1.4774569 ] [ 1.2187151 -2.4988461 -1.6941346 ] [ -2.2161846 0.5130518 -0.3208728 ] [ -2.3755447 -2.5385673 6.1238312 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.535813593221896e-09 5.671444930656974e-09 -7.231540876017955e-09 ] [ -3.148090912885129e-09 4.926752430085457e-10 -2.372969393027694e-09 ] [ -5.72086855502728e-09 -3.191666752758997e-09 -6.809756021010363e-09 ] [ 2.389890300894695e-09 7.41557938117694e-09 7.464057721333183e-09 ] [ 3.347420111186019e-09 -3.139206042361282e-09 2.367146922922074e-09 ] [ 1.952596856722973e-09 -4.003592833382027e-09 -2.714302870970936e-09 ] [ -3.550719182750636e-09 8.21999605991641e-10 -5.140949026461552e-10 ] [ -3.806042211362539e-09 -4.067233211896468e-09 9.81145925920018e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.733498 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.564919891268573e-18 } }