{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0276356 1.941887 2.611318 ] [ 2.995226 1.063493 0.8992508 ] [ 2.084562 0.5023637 2.575747 ] [ 1.963571 2.965941 1.251911 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.76356e-12 1.941887e-10 2.611318e-10 ] [ 2.995226e-10 1.063493e-10 8.992508000000001e-11 ] [ 2.084562e-10 5.023637e-11 2.575747e-10 ] [ 1.963571e-10 2.965941e-10 1.251911e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.1383352 -0.6280916 -0.3990059 ] [ 64.1858532 15.4751736 -103.2357898 ] [ -55.6891026 -35.4290379 101.4877314 ] [ -10.6350858 20.5819559 2.1470643 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.425990664873692e-09 -1.006313677240865e-09 -6.392779245412627e-10 ] [ 1.028370733831409e-07 2.479396134474137e-08 -1.654019688473831e-07 ] [ -8.92237782190525e-08 -5.676357622081712e-08 1.626012705471101e-07 ] [ -1.703928582896206e-08 3.297592855331662e-08 3.439976224814317e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 8.1139193 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.29999318055179e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.289663 2.0661656 2.7420516 ] [ 3.2457559 1.170618 0.9269628 ] [ 1.8359808 0.059828 2.7146776 ] [ 1.6995949 3.1770731 0.9545349 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.89663e-11 2.0661656e-10 2.7420516e-10 ] [ 3.2457559e-10 1.170618e-10 9.269628e-11 ] [ 1.8359808e-10 5.9828e-12 2.7146776e-10 ] [ 1.6995949e-10 3.1770731e-10 9.545349e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.11e-05 2.4e-06 -2.7e-06 ] [ -1.95e-05 2.1e-06 4.56e-05 ] [ -7e-07 -3.24e-05 -1.14e-05 ] [ -2.1e-05 2.8e-05 -3.15e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.584945911488e-14 3.84522388992e-15 -4.32587687616e-15 ] [ -3.12424441056e-14 3.36457090368e-15 7.305925390848e-14 ] [ -1.12152363456e-15 -5.191052251392001e-14 -1.826481347712e-14 ] [ -3.36457090368e-14 4.48609453824e-14 -5.04685635552e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.481807 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.999805936073779e-18 } }