{ "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" [ [ 1.040169 0.3467498 1.049872 ] [ 0.0600036 1.405044 1.572488 ] [ 2.420904 2.65585 0.1683769 ] [ 1.553585 1.595169 0.3590691 ] [ 2.059971 2.654503 2.612695 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.040169e-10 3.467498e-11 1.049872e-10 ] [ 6.00036e-12 1.405044e-10 1.572488e-10 ] [ 2.420904e-10 2.65585e-10 1.683769e-11 ] [ 1.553585e-10 1.595169e-10 3.590691e-11 ] [ 2.059971e-10 2.654503e-10 2.612695e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 11.8540096 -75.5085752 5.1349918 ] [ -28.423265 33.9587329 15.0730149 ] [ 48.0083093 60.7224069 -15.8199512 ] [ -30.0057653 -17.7813195 -4.7527104 ] [ -1.4332886 -1.3912451 0.3646549 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.899221720033168e-08 -1.209780748520719e-07 8.227163877741601e-09 ] [ -4.553909104499e-08 5.440788837262706e-08 2.414963227671384e-08 ] [ 7.691779139830489e-08 9.728802149542037e-08 -2.534635616366026e-08 ] [ -4.807453604894799e-08 -2.848881462458856e-08 -7.614681551048793e-09 ] [ -2.296381504698572e-09 -2.229020391386993e-09 5.842415602536065e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 31.641568 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.069538091272211e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.5004944 0.1906028 0.7692756 ] [ 0.3477539 1.345137 2.5896939 ] [ 2.6664597 2.9225294 0.5011111 ] [ 1.9335606 1.165465 -0.5215224 ] [ 1.6863641 3.0335816 2.4239428 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.004944e-11 1.906028e-11 7.692756e-11 ] [ 3.477539e-11 1.345137e-10 2.5896939e-10 ] [ 2.6664597e-10 2.9225294e-10 5.011111e-11 ] [ 1.9335606e-10 1.165465e-10 -5.215224000000001e-11 ] [ 1.6863641e-10 3.0335816e-10 2.4239428e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.5e-05 -2.3e-06 1.5e-05 ] [ -9e-06 1.33e-05 -1.24e-05 ] [ -9e-06 -3.6e-06 9.4e-06 ] [ -4.7e-06 3.9e-06 -1.3e-05 ] [ 7.7e-06 -1.12e-05 1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.403264951e-14 -3.685006258199999e-15 2.403264951e-14 ] [ -1.4419589706e-14 2.13089492322e-14 -1.98669902616e-14 ] [ -1.4419589706e-14 -5.767835882399999e-15 1.50604603596e-14 ] [ -7.530230179799999e-15 6.248488872599999e-15 -2.082829624199999e-14 ] [ 1.23367600818e-14 -1.79443783008e-14 1.602176634e-15 ] ] } "relaxed-potential-energy" { "source-value" -12.012367 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.924593372643268e-18 } }