{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.239329 2.983674 3.512225 ] [ 2.999663 5.449943 1.062375 ] [ 1.178907 3.936124 1.554887 ] [ 2.122325 5.087093 3.38156 ] [ 3.136296 3.082629 1.288456 ] [ 5.117946 4.70791 1.219676 ] [ 3.839933 3.58316 3.463374 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.239329e-10 2.983674e-10 3.512225e-10 ] [ 2.999663e-10 5.449943e-10 1.062375e-10 ] [ 1.178907e-10 3.936124e-10 1.554887e-10 ] [ 2.122325e-10 5.087093000000001e-10 3.38156e-10 ] [ 3.136296e-10 3.082629e-10 1.288456e-10 ] [ 5.117946e-10 4.70791e-10 1.219676e-10 ] [ 3.839933e-10 3.58316e-10 3.463374e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.3914515 -6.5005909 7.4546317 ] [ 0.383575 11.0979549 -6.6918243 ] [ -11.4435359 -1.3712709 -7.8078832 ] [ -1.4613229 12.0168451 10.236434 ] [ 6.2992134 -12.9949088 -10.16972 ] [ 5.1746967 1.4435552 -0.954889 ] [ 8.4388252 -3.6915846 7.9332508 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.184241078707709e-08 -1.041509476136523e-08 1.194363662641456e-08 ] [ 6.1455489732336e-10 1.77808838794728e-08 -1.072148444396133e-08 ] [ -1.833456567826549e-08 -2.197018176763375e-09 -1.250960792097709e-08 ] [ -2.341297385819657e-09 1.925310827499504e-08 1.640057523516223e-08 ] [ 1.009245243891008e-08 -2.082013906878818e-08 -1.629368762408218e-08 ] [ 8.290778072470911e-09 2.312830392274269e-09 -1.529900831259091e-09 ] [ 1.352048844245788e-08 -5.91457053982532e-09 1.27104689587029e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 1.5741387 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.522048223036505e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.8045821 3.4875531 3.3685887 ] [ 2.6279933 5.6836383 1.4469595 ] [ 1.2530095 3.6683314 0.9999099 ] [ 2.4293986 5.2052232 3.8725695 ] [ 3.2798168 2.4133495 0.5980553 ] [ 4.646337 4.2431309 1.3911066 ] [ 4.5932618 4.1293067 3.8053635 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.045821e-11 3.4875531e-10 3.3685887e-10 ] [ 2.6279933e-10 5.6836383e-10 1.4469595e-10 ] [ 1.2530095e-10 3.6683314e-10 9.999099000000001e-11 ] [ 2.4293986e-10 5.2052232e-10 3.8725695e-10 ] [ 3.2798168e-10 2.4133495e-10 5.980553e-11 ] [ 4.646337e-10 4.2431309e-10 1.3911066e-10 ] [ 4.5932618e-10 4.1293067e-10 3.8053635e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4e-07 -2.9e-06 9.8e-06 ] [ 8.4e-06 -1.79e-05 4.5e-06 ] [ 2.8e-06 -5e-07 2.2e-06 ] [ -3.6e-06 1.14e-05 -4.3e-06 ] [ -3.5e-06 6.8e-06 -2.53e-05 ] [ -2.5e-06 -6.5e-06 1e-05 ] [ -1.2e-06 9.5e-06 3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.408706483200001e-16 -4.646312200320001e-15 1.570133088384e-14 ] [ 1.345828361472e-14 -2.867896151232001e-14 7.2097947936e-15 ] [ 4.48609453824e-15 -8.010883104e-16 3.52478856576e-15 ] [ -5.76783583488e-15 1.826481347712e-14 -6.889359469440001e-15 ] [ -5.6076181728e-15 1.089480102144e-14 -4.053506850624e-14 ] [ -4.005441552e-15 -1.04141480352e-14 1.6021766208e-14 ] [ -1.92261194496e-15 1.52206778976e-14 4.8065298624e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.267203 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.805204922840762e-18 } }