{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.993524 1.997967 0.9576204 ] [ 2.385878 2.876706 2.947868 ] [ 2.853087 4.16342 1.184171 ] [ 3.781435 0.9707609 1.823891 ] [ 5.674201 1.959984 2.894152 ] [ 4.915062 3.13192 0.9889037 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.993524e-10 1.997967e-10 9.576204e-11 ] [ 2.385878e-10 2.876706e-10 2.947868e-10 ] [ 2.853087e-10 4.16342e-10 1.184171e-10 ] [ 3.781435e-10 9.707609000000001e-11 1.823891e-10 ] [ 5.674201e-10 1.959984e-10 2.894152e-10 ] [ 4.915062e-10 3.13192e-10 9.889037000000001e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.0176593 0.6706077 -1.945371 ] [ 0.9180867 -1.2720751 1.8224049 ] [ 0.1144569 0.4206964 -0.9321041 ] [ 1.0558868 1.9542637 0.8743829 ] [ -0.5604637 0.1362494 -0.4871288 ] [ -1.5103075 -1.9097421 0.6678161 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.82933178327962e-11 1.074431987520482e-09 -3.116827960661213e-09 ] [ 1.470937058726168e-09 -2.038089001913213e-09 2.919814548467106e-09 ] [ 1.833801707800746e-10 6.740299420879175e-10 -1.493395409475599e-09 ] [ 1.691717159109031e-09 3.131075636814386e-09 1.400915851549158e-09 ] [ -8.979618443451858e-10 2.182956050765196e-10 -7.80466381108459e-10 ] [ -2.419779386654954e-09 -3.059744169586091e-09 1.069959351229007e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.047656 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.53242392776699e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0362481 2.2265504 0.9340931 ] [ 2.6126078 2.4184543 3.1617494 ] [ 3.330814 4.0735515 1.5932004 ] [ 3.8347158 0.9421604 1.7325837 ] [ 4.9012281 2.7724537 2.8407797 ] [ 4.8875733 2.6675877 0.5341999 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0362481e-10 2.2265504e-10 9.340931e-11 ] [ 2.6126078e-10 2.4184543e-10 3.1617494e-10 ] [ 3.330814e-10 4.0735515e-10 1.5932004e-10 ] [ 3.8347158e-10 9.421604e-11 1.7325837e-10 ] [ 4.9012281e-10 2.7724537e-10 2.8407797e-10 ] [ 4.8875733e-10 2.6675877e-10 5.341999e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.12e-05 1.67e-05 -3.66e-05 ] [ 1.86e-05 1.12e-05 3.95e-05 ] [ -2.82e-05 -1.56e-05 9.8e-06 ] [ 6.6e-06 3.41e-05 -4.4e-06 ] [ -2.08e-05 -1.57e-05 -3.38e-05 ] [ -3.74e-05 -3.06e-05 2.55e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.805321000079999e-14 2.67563497878e-14 -5.86396648044e-14 ] [ 2.98004853924e-14 1.79443783008e-14 6.328597704299999e-14 ] [ -4.51813810788e-14 -2.49939554904e-14 1.57013310132e-14 ] [ 1.05743657844e-14 5.46342232194e-14 -7.0495771896e-15 ] [ -3.332527398719999e-14 -2.515417315379999e-14 -5.415357022919999e-14 ] [ -5.99214061116e-14 -4.90266050004e-14 4.0855504167e-14 ] ] } "relaxed-potential-energy" { "source-value" -26.223076 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.201399963880618e-18 } }