{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0587563 2.624587 0.4359975 ] [ 0.6130103 1.606213 2.369845 ] [ 2.872214 1.39186 0.7464612 ] [ 1.941337 0.0175427 2.118778 ] [ 2.055015 2.698548 0.547582 ] [ 2.796139 2.772611 2.055467 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.87563e-12 2.624587e-10 4.359975e-11 ] [ 6.130103e-11 1.606213e-10 2.369845e-10 ] [ 2.872214e-10 1.39186e-10 7.464612e-11 ] [ 1.941337e-10 1.75427e-12 2.118778e-10 ] [ 2.055015e-10 2.698548e-10 5.47582e-11 ] [ 2.796139e-10 2.772611e-10 2.055467e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.8822682 -0.4245415 -0.9417078 ] [ 16.0667109 -8.6073062 -11.427897 ] [ -20.9318123 -19.8601808 11.5671664 ] [ 1.7417916 -0.190964 0.1305949 ] [ -3.8859473 16.7046305 -22.1463767 ] [ 10.8915253 12.378362 22.8182201 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.220079345715298e-09 -6.801904658593632e-10 -1.508782220785002e-09 ] [ 2.574170857713253e-08 -1.379042476170689e-08 -1.830950939831046e-08 ] [ -3.353646029803388e-08 -3.181951736262104e-08 1.85326435749833e-08 ] [ 2.790657779825825e-09 -3.059580562144512e-10 2.09236095575714e-10 ] [ -6.225973913720885e-09 2.676376844620262e-08 -3.548240698416986e-08 ] [ 1.745014720051171e-08 1.983232220019913e-08 3.655881877248865e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 3.8870139 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.227682795304629e-19 } "relaxed-configuration-positions" { "source-value" [ [ -0.4247985 2.4658691 0.4212511 ] [ 0.9629012 1.8565964 2.31782 ] [ 3.1895285 1.0608393 1.0037365 ] [ 1.5887625 -0.433909 1.9228172 ] [ 1.9141976 2.9916514 0.1741714 ] [ 3.1058803 3.1703146 2.4343344 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.247985e-11 2.4658691e-10 4.212511e-11 ] [ 9.629012e-11 1.8565964e-10 2.31782e-10 ] [ 3.189528500000001e-10 1.0608393e-10 1.0037365e-10 ] [ 1.5887625e-10 -4.33909e-11 1.9228172e-10 ] [ 1.9141976e-10 2.9916514e-10 1.741714e-11 ] [ 3.1058803e-10 3.1703146e-10 2.4343344e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.52e-05 -5.28e-05 -4.72e-05 ] [ -6.93e-05 -1.54e-05 5.1e-05 ] [ 8.5e-06 -1.78e-05 2.71e-05 ] [ -2.16e-05 -8e-06 -3.64e-05 ] [ -5.79e-05 3.69e-05 -7.91e-05 ] [ 0.0001755 5.71e-05 8.45e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.639661705216e-14 -8.459492557824e-14 -7.562273650176e-14 ] [ -1.1103083982144e-13 -2.467351996032e-14 8.17110076608e-14 ] [ 1.36185012768e-14 -2.851874385024e-14 4.341898642368e-14 ] [ -3.460701500928e-14 -1.28174129664e-14 -5.831922899712e-14 ] [ -9.276602634432e-14 5.912031730752001e-14 -1.2673217070528e-13 ] [ 2.811819969504e-13 9.148428504768e-14 1.353839244576e-13 ] ] } "relaxed-potential-energy" { "source-value" -20.656885 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.309597820555421e-18 } }