{ "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" [ [ 2.376748 2.356906 1.723048 ] [ 1.891208 1.427855 3.861744 ] [ 2.621896 4.609245 2.418974 ] [ 4.560356 2.199202 1.122098 ] [ 4.097908 2.987714 3.135416 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.376748e-10 2.356906e-10 1.723048e-10 ] [ 1.891208e-10 1.427855e-10 3.861744e-10 ] [ 2.621896e-10 4.609245e-10 2.418974e-10 ] [ 4.560356e-10 2.199202e-10 1.122098e-10 ] [ 4.097908e-10 2.987714e-10 3.135416e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.9404122 -0.6553762 -0.5636073 ] [ 0.37655 0.1897249 -0.3351176 ] [ -0.5322427 0.9358406 -0.1242075 ] [ 2.0013086 -1.0847983 -2.4097863 ] [ 1.0947963 0.614609 3.4327188 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.711059682355094e-09 -1.050028425468745e-09 -9.02998439372212e-10 ] [ 6.0329960656224e-10 3.039727991636179e-10 -5.369175839386061e-10 ] [ -8.52746810531468e-10 1.499381930115445e-09 -1.99002352628016e-10 ] [ 3.20644984992598e-09 -1.738038474543585e-09 -3.860903270984135e-09 ] [ 1.754057036398343e-09 9.847121707332672e-10 5.499821807140632e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.028971 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.92725361084812e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0758519 2.4255844 1.4507117 ] [ 2.290564 1.5441043 3.6445809 ] [ 2.6260445 4.5104464 2.4134846 ] [ 4.4168529 2.0755475 1.2984702 ] [ 4.1388028 3.0252394 3.4540325 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0758519e-10 2.4255844e-10 1.4507117e-10 ] [ 2.290564e-10 1.5441043e-10 3.6445809e-10 ] [ 2.6260445e-10 4.5104464e-10 2.4134846e-10 ] [ 4.416852900000001e-10 2.0755475e-10 1.2984702e-10 ] [ 4.1388028e-10 3.0252394e-10 3.4540325e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0155527 -0.0906204 0.0089121 ] [ 0.0833027 0.1421855 -0.1124323 ] [ 0.0024013 -0.018127 0.0042456 ] [ -0.1043827 0.0662271 0.087132 ] [ 0.003126 -0.0996652 0.0121425 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.491817233031616e-11 -1.451898862475443e-10 1.427875826223168e-11 ] [ 1.334656383895162e-10 2.278062839167584e-10 -1.801364024827718e-10 ] [ 3.84730671952704e-12 -2.90426556052416e-11 6.802201061268481e-12 ] [ -1.672395215559802e-10 1.061075112833837e-10 1.396008533235456e-10 ] [ 5.0084041166208e-12 -1.596812533473562e-10 1.9454429618064e-11 ] ] } "relaxed-potential-energy" { "source-value" -13.716322 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.19759704317647e-18 } }