{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.1139215 0.7675217 1.173379 ] [ 0.3197986 0.4128002 2.663942 ] [ 1.547269 0.0076724 0.5415715 ] [ 1.777725 2.329132 1.457723 ] [ 2.606996 1.505358 2.342036 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.139215e-11 7.675217e-11 1.173379e-10 ] [ 3.197986e-11 4.128002e-11 2.663942e-10 ] [ 1.547269e-10 7.672400000000001e-13 5.415715e-11 ] [ 1.777725e-10 2.329132e-10 1.457723e-10 ] [ 2.606996e-10 1.505358e-10 2.342036e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -14.4026665 9.7846068 -18.6980431 ] [ 4.1817146 -5.124253 22.2404145 ] [ 10.0658641 -5.100521 -3.5348981 ] [ -16.5923337 18.5914757 -18.3704222 ] [ 16.7474216 -18.1513085 18.3629488 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.307561554347936e-08 1.56766682586807e-08 -2.995756750953076e-08 ] [ 6.699845366978024e-09 -8.209958355664263e-09 3.563307214880132e-08 ] [ 1.612729212917004e-08 -8.171935500099437e-09 -5.663531092730341e-09 ] [ -2.658384913865196e-08 2.978682771271132e-08 -2.94326609630653e-08 ] [ 2.683232734620093e-08 -2.908160211562831e-08 2.942068725630742e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -3.747465 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.004100810266273e-19 } "relaxed-configuration-positions" { "source-value" [ [ -0.3504405 0.9444809 0.7239687 ] [ 0.613298 0.5680427 2.8394505 ] [ 1.8216269 0.0345997 0.7228825 ] [ 1.3845014 2.4108468 1.3448574 ] [ 2.8967243 1.0645142 2.5474923 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.504405e-11 9.444809e-11 7.239687e-11 ] [ 6.13298e-11 5.680427e-11 2.8394505e-10 ] [ 1.8216269e-10 3.45997e-12 7.228825e-11 ] [ 1.3845014e-10 2.4108468e-10 1.3448574e-10 ] [ 2.8967243e-10 1.0645142e-10 2.5474923e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2e-06 -5e-06 2.4e-06 ] [ 0.0 4.5e-06 -4.4e-06 ] [ -1.9e-06 0.0 -1.5e-06 ] [ 3.3e-06 -1e-07 5.3e-06 ] [ -3.5e-06 6e-07 -1.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.2043532416e-15 -8.010883104e-15 3.84522388992e-15 ] [ 0.0 7.2097947936e-15 -7.04957713152e-15 ] [ -3.04413557952e-15 0.0 -2.4032649312e-15 ] [ 5.28718284864e-15 -1.6021766208e-16 8.491536090240001e-15 ] [ -5.6076181728e-15 9.6130597248e-16 -2.88391791744e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.115797 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.383123628295878e-18 } }