{ "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" [ [ 2.263215 2.218791 2.823685 ] [ 2.787552 3.729015 0.8142493 ] [ 2.212325 4.309555 3.289264 ] [ 3.882235 1.940561 0.9401229 ] [ 4.958804 1.525412 3.341241 ] [ 4.281489 4.073298 2.625609 ] [ 3.697667 3.229021 4.691712 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.263215e-10 2.218791e-10 2.823685e-10 ] [ 2.787552e-10 3.729015e-10 8.142493e-11 ] [ 2.212325e-10 4.309555e-10 3.289264e-10 ] [ 3.882235e-10 1.940561e-10 9.401229e-11 ] [ 4.958804e-10 1.525412e-10 3.341241e-10 ] [ 4.281489e-10 4.073298000000001e-10 2.625609e-10 ] [ 3.697667e-10 3.229021e-10 4.691712e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.3012625 -5.798678 -0.685416 ] [ -4.2054935 4.9231572 -0.8504789 ] [ -5.6129491 6.8317429 1.1168785 ] [ 3.8715055 -4.9993224 0.874072 ] [ -2.0792795 1.332625 -1.0385987 ] [ 6.1277983 -0.346748 -2.7046388 ] [ 0.5971558 -1.9427766 3.2881819 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.084852372200425e-09 -9.290506399689852e-09 -1.098157499769744e-09 ] [ -6.737943420138879e-09 7.887767431348864e-09 -1.362617421290023e-09 ] [ -8.992935895851328e-09 1.09456588438754e-08 1.789436635716969e-09 ] [ 6.202835650502486e-09 -8.0097975351128e-09 1.400417734833648e-09 ] [ -3.331373030455203e-09 2.13510063688425e-09 -1.664018569242776e-09 ] [ 9.817815254124922e-09 -5.555515434862319e-10 -4.333309088769799e-09 ] [ 9.56749069617577e-10 -3.112671273601964e-09 5.268248208521725e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.63586 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.985793944649524e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3126139 2.0077419 2.8162506 ] [ 2.5013598 3.7798072 0.9600378 ] [ 2.1780107 4.5383412 3.2626721 ] [ 4.1225343 1.9486701 0.9881161 ] [ 4.8011103 1.5754974 3.3080946 ] [ 4.568324 3.9995941 2.4768597 ] [ 3.5993341 3.1760012 4.7138524 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3126139e-10 2.0077419e-10 2.8162506e-10 ] [ 2.5013598e-10 3.7798072e-10 9.600378e-11 ] [ 2.1780107e-10 4.5383412e-10 3.2626721e-10 ] [ 4.1225343e-10 1.9486701e-10 9.881161e-11 ] [ 4.8011103e-10 1.5754974e-10 3.3080946e-10 ] [ 4.568324e-10 3.9995941e-10 2.4768597e-10 ] [ 3.5993341e-10 3.1760012e-10 4.713852400000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.02e-05 -1.53e-05 -9.4e-06 ] [ 3.46e-05 -9.3e-06 3.04e-05 ] [ -1.44e-05 2.34e-05 8.6e-06 ] [ -2.74e-05 2.71e-05 -3.21e-05 ] [ 3.08e-05 -8.9e-06 2.35e-05 ] [ -1.86e-05 -4.3e-05 -5.9e-06 ] [ -1.51e-05 2.61e-05 -1.52e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.63422016668e-14 -2.45133025002e-14 -1.50604603596e-14 ] [ 5.54353115364e-14 -1.49002426962e-14 4.870616967359999e-14 ] [ -2.30713435296e-14 3.749093323559999e-14 1.37787190524e-14 ] [ -4.389963977159999e-14 4.34189867814e-14 -5.14298699514e-14 ] [ 4.93470403272e-14 -1.42593720426e-14 3.765115089899999e-14 ] [ -2.98004853924e-14 -6.889359526199999e-14 -9.452842140600001e-15 ] [ -2.41928671734e-14 4.18168101474e-14 -2.43530848368e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.516096 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.607476290010086e-18 } }