{ "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" [ [ 0.4523459 0.4778673 0.765296 ] [ 0.8876723 1.989638 2.471047 ] [ 2.135329 1.164008 0.2412907 ] [ 2.495776 0.5844002 2.912252 ] [ 2.604983 2.71818 1.724062 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.523459e-11 4.778673e-11 7.65296e-11 ] [ 8.876723e-11 1.989638e-10 2.471047e-10 ] [ 2.135329e-10 1.164008e-10 2.412907e-11 ] [ 2.495776e-10 5.844002e-11 2.912252e-10 ] [ 2.604983e-10 2.71818e-10 1.724062e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -17.8178384 -9.1442803 2.319745 ] [ -13.2649438 1.4468819 5.0796932 ] [ 15.4700553 3.7622086 -7.4500765 ] [ 4.4678234 -5.2422048 2.1746304 ] [ 11.1449037 9.1773947 -2.1239921 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.854732411767248e-08 -1.465075211070201e-08 3.716641205217696e-09 ] [ -2.125278283258591e-08 2.318160353238683e-09 8.13856568587674e-09 ] [ 2.478576092414313e-08 6.0277226614927e-09 -1.193633839147149e-08 ] [ 7.158242197343168e-09 -8.39893797200554e-09 3.484141985760952e-09 ] [ 1.785610414920742e-08 1.470380722819383e-08 -3.403010485383896e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -2.4643497 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.948323474815494e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.2634646 0.4997572 0.7600132 ] [ 0.543861 1.9476343 2.6645318 ] [ 2.3555668 1.1906783 -0.1633646 ] [ 2.6514662 0.6158904 3.1671466 ] [ 2.7617476 2.6801333 1.6856207 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.634646e-11 4.997572e-11 7.600132000000001e-11 ] [ 5.43861e-11 1.9476343e-10 2.6645318e-10 ] [ 2.3555668e-10 1.1906783e-10 -1.633646e-11 ] [ 2.6514662e-10 6.158903999999999e-11 3.1671466e-10 ] [ 2.7617476e-10 2.6801333e-10 1.6856207e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.74e-05 -2.01e-05 -4.16e-05 ] [ -2.1e-06 1.01e-05 8.5e-06 ] [ -7.34e-05 1.51e-05 2.3e-06 ] [ -5.8e-06 1.86e-05 2.56e-05 ] [ 3.39e-05 -2.38e-05 5.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.594317182591999e-14 -3.220375007808e-14 -6.665054742528e-14 ] [ -3.36457090368e-15 1.618198387008e-14 1.36185012768e-14 ] [ -1.1759976396672e-13 2.419286697408e-14 3.68500622784e-15 ] [ -9.292624400640001e-15 2.980048514688e-14 4.101572149248001e-14 ] [ 5.431378744512e-14 -3.813180357504e-14 8.33131842816e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.013682 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.764586380932578e-18 } }