{ "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" [ 5.43182 0 0 ] "si-unit" "m" "si-value" [ 5.43182e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00436542 5.42411 0 ] "si-unit" "m" "si-value" [ -4.36542e-13 5.42411e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.250705 -0.013062 5.36378 ] "si-unit" "m" "si-value" [ 2.50705e-11 -1.3062e-12 5.36378e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00336868 -0.0347308 0.0739509 ] [ 1.33721 1.36002 1.29514 ] [ 0.0804819 2.71297 2.74807 ] [ 1.4297 4.00589 4.14244 ] [ 2.76212 -0.0429027 2.66501 ] [ 4.31635 1.33651 3.99144 ] [ 2.62716 2.67896 0.144482 ] [ 3.97118 3.97277 1.25678 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.36868e-13 -3.47308e-12 7.395090000000001e-12 ] [ 1.33721e-10 1.36002e-10 1.29514e-10 ] [ 8.04819e-12 2.71297e-10 2.74807e-10 ] [ 1.4297e-10 4.00589e-10 4.14244e-10 ] [ 2.76212e-10 -4.29027e-12 2.66501e-10 ] [ 4.31635e-10 1.33651e-10 3.99144e-10 ] [ 2.62716e-10 2.67896e-10 1.44482e-11 ] [ 3.97118e-10 3.97277e-10 1.25678e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.1207799 0.3790075 -0.7269337 ] [ 0.0002724 -0.708113 1.7306624 ] [ -0.028591 0.3052845 -1.3880587 ] [ 1.0709674 -0.2498439 -0.330136 ] [ -0.2165804 0.221079 -0.0882507 ] [ -1.1330246 -0.7126881 1.5033893 ] [ -0.1065121 -0.009882 -2.5595967 ] [ 1.5342482 0.775156 1.8589241 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.795687352842562e-09 6.072369556078561e-10 -1.164676179011641e-09 ] [ 4.3643291150592e-13 -1.13452209348455e-09 2.772826835777618e-09 ] [ -4.58078317652928e-11 4.891196885926177e-10 -2.223915197438041e-09 ] [ 1.715878929918962e-09 -4.002940554294932e-10 -5.289361808844288e-10 ] [ -3.470000534035123e-10 3.542076051498432e-10 -1.413932083092346e-10 ] [ -1.815305524911272e-09 -1.141852211742373e-09 2.408695188420878e-09 ] [ -1.706511964523117e-10 -1.58327093667456e-11 -4.100925991416832e-09 ] [ 2.458136596544482e-09 1.241936820672845e-09 2.978324732861682e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.862695 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.906054810868106e-18 } }