{ "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" [ [ 2.750115 2.05781 3.008489 ] [ 2.459373 1.512643 5.182306 ] [ 3.045421 4.403069 3.012822 ] [ 1.351279 3.64529 4.777489 ] [ 4.685264 1.369475 1.888704 ] [ 3.677702 3.202643 0.9471066 ] [ 3.576002 3.111527 4.892003 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.750115e-10 2.05781e-10 3.008489e-10 ] [ 2.459373e-10 1.512643e-10 5.182306e-10 ] [ 3.045421e-10 4.403069e-10 3.012822e-10 ] [ 1.351279e-10 3.64529e-10 4.777489e-10 ] [ 4.685264e-10 1.369475e-10 1.888704e-10 ] [ 3.677702e-10 3.202643e-10 9.471066000000001e-11 ] [ 3.576002e-10 3.111527e-10 4.892003e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.2239388 -3.723234 -3.6264327 ] [ -1.3893544 -4.5345081 1.778068 ] [ 0.4054282 2.6932137 -1.8960917 ] [ -4.5725546 3.0880683 2.2255492 ] [ 1.0067271 -1.5149131 -0.0371838 ] [ -0.2688322 1.2912088 -0.4867175 ] [ 4.594647 2.7001645 2.0428085 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.58789509850007e-10 -5.965278468567668e-09 -5.81018568884462e-09 ] [ -2.225991137685611e-09 -7.265082864648229e-09 2.848778979792614e-09 ] [ 6.495675834530265e-10 4.315004024958265e-09 -3.037873792632928e-09 ] [ -7.326040077451496e-09 4.9476308336936e-09 3.565722896680143e-09 ] [ 1.612954623145784e-09 -2.427158351363653e-09 -5.957501503250304e-11 ] [ -4.307166657582299e-10 2.068744551931223e-09 -7.79807399434224e-10 ] [ 7.361436004228858e-09 4.326140434214122e-09 3.272940019471517e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.216512 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.117518653492265e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9248359 0.3148815 3.3724231 ] [ 2.3351779 1.9095132 5.0439455 ] [ 3.1848237 4.757896 3.4432589 ] [ 1.0575508 3.6497568 3.9023527 ] [ 3.8370394 1.3813413 1.341131 ] [ 3.9780907 3.8457893 1.3881901 ] [ 4.2276375 3.4432788 5.2176182 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9248359e-10 3.148815e-11 3.3724231e-10 ] [ 2.3351779e-10 1.9095132e-10 5.043945500000001e-10 ] [ 3.1848237e-10 4.757895999999999e-10 3.4432589e-10 ] [ 1.0575508e-10 3.6497568e-10 3.9023527e-10 ] [ 3.8370394e-10 1.3813413e-10 1.341131e-10 ] [ 3.9780907e-10 3.8457893e-10 1.3881901e-10 ] [ 4.227637500000001e-10 3.4432788e-10 5.217618200000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.09e-05 3.7e-06 9.8e-06 ] [ -1.43e-05 -1.44e-05 2.62e-05 ] [ -6.2e-06 -1.04e-05 4.87e-05 ] [ 4.17e-05 1.8e-06 -3.8e-06 ] [ 2.94e-05 3.9e-06 3.5e-06 ] [ -7.7e-06 9.3e-06 -6.02e-05 ] [ -2.2e-05 6.2e-06 -2.42e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.348549137472e-14 5.928053496960001e-15 1.570133088384e-14 ] [ -2.291112567744e-14 -2.307134333952e-14 4.197702746496e-14 ] [ -9.93349504896e-15 -1.666263685632e-14 7.802600143296e-14 ] [ 6.681076508736e-14 2.88391791744e-15 -6.08827115904e-15 ] [ 4.710399265152e-14 6.24848882112e-15 5.6076181728e-15 ] [ -1.233675998016e-14 1.490024257344e-14 -9.645103257216e-14 ] [ -3.52478856576e-14 9.93349504896e-15 -3.877267422336e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.075996 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.376746805127432e-18 } }