{ "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" [ [ 0.3527209 0.4565602 1.167471 ] [ 0.6414148 2.926013 0.4472085 ] [ 0.2560781 2.125953 2.651252 ] [ 2.793307 0.1807352 2.367537 ] [ 2.546309 2.149048 0.8335699 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.527209e-11 4.565602e-11 1.167471e-10 ] [ 6.414148e-11 2.926013000000001e-10 4.472085e-11 ] [ 2.560781e-11 2.125953e-10 2.651252e-10 ] [ 2.793307e-10 1.807352e-11 2.367537e-10 ] [ 2.546309e-10 2.149048e-10 8.335699e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4257845 -3.0571792 -0.5700343 ] [ -3.0852853 2.6119281 -1.9484132 ] [ -0.8256347 1.1017927 2.9916404 ] [ -1.2658638 0.7510373 -0.8855282 ] [ 4.7509993 -1.4075789 0.4123352 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.821819713990176e-10 -4.898141039836048e-09 -9.132956285140935e-10 ] [ -4.943171976157915e-09 4.184770137030565e-09 -3.121702076698115e-09 ] [ -1.322812613661222e-09 1.765266504908108e-09 4.79313630672076e-09 ] [ -2.028137385477047e-09 1.203294403408756e-09 -1.418772579099107e-09 ] [ 7.611940003897165e-09 -2.255190005511381e-09 6.606338173728922e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -10.346829 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.657744752321544e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.2148779 0.2756163 1.0291867 ] [ 0.6497008 2.7071089 0.4865488 ] [ 0.3805069 2.0342039 2.9094504 ] [ 2.3661103 0.5818896 2.323064 ] [ 2.9786339 2.2394907 0.7187885 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.148779e-11 2.756163e-11 1.0291867e-10 ] [ 6.497008e-11 2.7071089e-10 4.865488e-11 ] [ 3.805069e-11 2.0342039e-10 2.9094504e-10 ] [ 2.3661103e-10 5.818896e-11 2.323064e-10 ] [ 2.9786339e-10 2.2394907e-10 7.187885000000001e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.09e-05 4.4e-05 3.26e-05 ] [ 1.94e-05 -3.9e-05 4.43e-05 ] [ 1.92e-05 -2.2e-05 -5.49e-05 ] [ -5.15e-05 2.66e-05 -2.97e-05 ] [ -2.79e-05 -9.6e-06 7.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.552902379072e-14 7.04957713152e-14 5.223095783807999e-14 ] [ 3.108222644352e-14 -6.248488821120001e-14 7.097642430144e-14 ] [ 3.076179111936e-14 -3.52478856576e-14 -8.795949648192e-14 ] [ -8.25120959712e-14 4.261789811328e-14 -4.758464563776e-14 ] [ -4.470072772032e-14 -1.538089555968e-14 1.233675998016e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.878088 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.903079489340503e-18 } }