{ "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" [ [ 2.743053 2.538085 1.844122 ] [ 1.813323 2.641816 4.57084 ] [ 2.418782 4.209438 3.124504 ] [ 4.81693 2.098767 1.448798 ] [ 3.906107 2.029734 3.728536 ] [ 4.411251 4.516232 1.926861 ] [ 3.723923 4.053892 4.839487 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.743053e-10 2.538085e-10 1.844122e-10 ] [ 1.813323e-10 2.641816e-10 4.57084e-10 ] [ 2.418782e-10 4.209438e-10 3.124504e-10 ] [ 4.81693e-10 2.098767e-10 1.448798e-10 ] [ 3.906107e-10 2.029734e-10 3.728536e-10 ] [ 4.411251e-10 4.516232e-10 1.926861e-10 ] [ 3.723923e-10 4.053892e-10 4.839487000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.6999974 -0.9945484 -1.1722632 ] [ -0.2762487 -0.8152964 0.4068448 ] [ -1.3902267 3.108325 -0.9076608 ] [ 1.3932994 0.4486171 0.2268829 ] [ 0.8668622 -1.221924 0.4435215 ] [ -0.0732768 -0.7362771 0.277524 ] [ 1.179588 0.2111039 0.7251509 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.723696089700786e-09 -1.593442194734047e-09 -1.878172692464194e-09 ] [ -4.42599208666393e-10 -1.306248831102405e-09 6.518372268540519e-10 ] [ -2.227388716351936e-09 4.980085644848159e-09 -1.454232913376625e-09 ] [ 2.232311724454668e-09 7.187638293110957e-10 3.635064780393043e-10 ] [ 1.388866350295254e-09 -1.957738065194419e-09 7.105997781221472e-10 ] [ -1.174023758070374e-10 -1.179645956050424e-09 4.446424645108992e-10 ] [ 1.889908315776231e-09 3.382257331397012e-10 1.161819818532079e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.22767 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.080612334645754e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1239421 2.4232552 1.7513254 ] [ 2.096627 2.4737087 4.1436423 ] [ 2.2424674 4.5454543 2.8507293 ] [ 4.5001593 2.2571526 1.7532056 ] [ 4.3810266 1.7637752 4.080519 ] [ 4.5783345 4.5666225 2.3313523 ] [ 3.9108122 4.0579955 4.572374 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1239421e-10 2.4232552e-10 1.7513254e-10 ] [ 2.096627e-10 2.4737087e-10 4.1436423e-10 ] [ 2.2424674e-10 4.545454300000001e-10 2.8507293e-10 ] [ 4.5001593e-10 2.2571526e-10 1.7532056e-10 ] [ 4.3810266e-10 1.7637752e-10 4.080519e-10 ] [ 4.578334500000001e-10 4.5666225e-10 2.3313523e-10 ] [ 3.9108122e-10 4.0579955e-10 4.572374e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8.5e-06 -3.6e-06 -3.8e-06 ] [ 1.2e-06 -3.1e-06 6.3e-06 ] [ 9.5e-06 9.8e-06 2.9e-06 ] [ 9.7e-06 1.41e-05 -1e-06 ] [ -8e-07 -6.6e-06 1.24e-05 ] [ -5e-06 -4.1e-06 -6.7e-06 ] [ -6.1e-06 -6.4e-06 -1.02e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.36185012768e-14 -5.76783583488e-15 -6.08827115904e-15 ] [ 1.92261194496e-15 -4.96674752448e-15 1.009371271104e-14 ] [ 1.52206778976e-14 1.570133088384e-14 4.646312200320001e-15 ] [ 1.554111322176e-14 2.259069035328e-14 -1.6021766208e-15 ] [ -1.28174129664e-15 -1.057436569728e-14 1.986699009792e-14 ] [ -8.010883104e-15 -6.568924145279999e-15 -1.073458335936e-14 ] [ -9.77327738688e-15 -1.025393037312e-14 -1.634220153216e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.541441 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.451319314854257e-18 } }