{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.875325 2.956791 1.293332 ] [ 2.112421 5.47429 1.464888 ] [ 2.056962 4.106673 3.914817 ] [ 3.228113 2.011758 3.122182 ] [ 3.602336 4.040974 2.324239 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.875325e-10 2.956791e-10 1.293332e-10 ] [ 2.112421e-10 5.47429e-10 1.464888e-10 ] [ 2.056962e-10 4.106673e-10 3.914817000000001e-10 ] [ 3.228113e-10 2.011758e-10 3.122182e-10 ] [ 3.602336e-10 4.040974e-10 2.324239e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.7781331 -2.6224319 -4.0788592 ] [ -2.01834 2.8202009 -1.4758692 ] [ -3.0167726 1.4774163 4.6917678 ] [ 0.4753532 -5.3351263 2.0906238 ] [ 8.3378925 3.6599411 -1.2276632 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.053236523090628e-09 -4.201599079820124e-09 -6.535052849774992e-09 ] [ -3.233737160825472e-09 4.518459947939119e-09 -2.364603127598799e-09 ] [ -4.83340252999003e-09 2.367081855048839e-09 7.51704067938225e-09 ] [ 7.615997836624665e-10 -8.547814626875208e-09 3.349548575248055e-09 ] [ 1.335877643024366e-08 5.863872063925036e-09 -1.966933277256515e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.1208842 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.461326742626411e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.5987711 2.7552551 1.0349621 ] [ 1.9754893 5.0394214 1.6156328 ] [ 2.125338 4.292083 4.0270088 ] [ 2.9512881 2.1765177 2.9143982 ] [ 4.2242704 4.3272089 2.5274561 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5987711e-10 2.7552551e-10 1.0349621e-10 ] [ 1.9754893e-10 5.0394214e-10 1.6156328e-10 ] [ 2.125338e-10 4.292083e-10 4.0270088e-10 ] [ 2.9512881e-10 2.1765177e-10 2.9143982e-10 ] [ 4.2242704e-10 4.3272089e-10 2.5274561e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.83e-05 1e-07 6.7e-06 ] [ -8.2e-06 1.25e-05 1.7e-06 ] [ 3.7e-06 -4.9e-06 -4.6e-06 ] [ -8.9e-06 -1.8e-06 4.8e-06 ] [ -4.9e-06 -5.9e-06 -8.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.931983216064e-14 1.6021766208e-16 1.073458335936e-14 ] [ -1.313784829056e-14 2.002720776e-14 2.72370025536e-15 ] [ 5.928053496960001e-15 -7.850665441919999e-15 -7.370012455680001e-15 ] [ -1.425937192512e-14 -2.88391791744e-15 7.69044777984e-15 ] [ -7.850665441919999e-15 -9.45284206272e-15 -1.377871893888e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.878088 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.903079489340503e-18 } }