{ "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" [ [ 2.55675 2.192965 3.527099 ] [ 1.806278 5.26626 2.450306 ] [ 0.8031725 3.384297 2.630387 ] [ 2.570894 3.149532 1.167105 ] [ 2.627788 4.286276 4.286712 ] [ 4.842075 2.861339 2.293967 ] [ 3.90768 5.002934 2.246314 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.55675e-10 2.192965e-10 3.527099e-10 ] [ 1.806278e-10 5.26626e-10 2.450306e-10 ] [ 8.031725e-11 3.384297e-10 2.630387e-10 ] [ 2.570894e-10 3.149532e-10 1.167105e-10 ] [ 2.627788e-10 4.286276e-10 4.286712e-10 ] [ 4.842075000000001e-10 2.861339e-10 2.293967e-10 ] [ 3.90768e-10 5.002934e-10 2.246314e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.2325975 -1.4634024 -0.2390332 ] [ -1.9928845 3.0464032 -0.8042169 ] [ -1.7655262 -1.6445305 -0.0113742 ] [ 0.8453366 -0.463707 -0.8238184 ] [ 0.6821512 0.8226009 1.8829176 ] [ -1.5203368 -0.1904924 0.1729848 ] [ 2.5186623 -0.1068718 -0.1774597 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.974838897356528e-09 -2.34462911210261e-09 -3.829734046350106e-10 ] [ -3.192952953854698e-09 4.880875984570306e-09 -1.288497515232251e-09 ] [ -2.828684801049865e-09 -2.634828319292534e-09 -1.822347732030336e-11 ] [ 1.354378537226561e-09 -7.429405143013056e-10 -1.319902580264863e-09 ] [ 1.092926704490665e-09 1.317951930229039e-09 3.016766557612846e-09 ] [ -2.435848076701885e-09 -3.05202469720082e-10 2.771522023137639e-10 ] [ 4.035341852750356e-09 -1.712274993828134e-10 -2.843217824741818e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -21.266605 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.407285733478838e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7312896 2.318745 3.8698401 ] [ 1.8299553 5.1759613 2.264343 ] [ 0.945748 2.9258762 2.5136738 ] [ 2.4255839 3.3698948 0.7509474 ] [ 2.7408191 4.5718199 4.4351218 ] [ 4.2206921 2.7655509 2.0956715 ] [ 4.2205496 5.0157549 2.6722925 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7312896e-10 2.318745e-10 3.8698401e-10 ] [ 1.8299553e-10 5.1759613e-10 2.264343e-10 ] [ 9.457480000000001e-11 2.9258762e-10 2.5136738e-10 ] [ 2.4255839e-10 3.3698948e-10 7.509474e-11 ] [ 2.7408191e-10 4.5718199e-10 4.4351218e-10 ] [ 4.2206921e-10 2.7655509e-10 2.0956715e-10 ] [ 4.2205496e-10 5.0157549e-10 2.6722925e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.7e-06 4.17e-05 2.29e-05 ] [ 1.08e-05 3.24e-05 3.4e-06 ] [ -9.8e-06 -3.09e-05 -1.67e-05 ] [ -2.42e-05 -1.38e-05 -6.4e-06 ] [ -1.4e-06 -3.27e-05 2e-07 ] [ 1.92e-05 -4.28e-05 -2.28e-05 ] [ 1.11e-05 4.61e-05 1.93e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.13240673856e-15 6.681076508736e-14 3.668984461632e-14 ] [ 1.730350750464e-14 5.191052251392001e-14 5.44740051072e-15 ] [ -1.570133088384e-14 -4.950725758272e-14 -2.675634956736e-14 ] [ -3.877267422336e-14 -2.211003736704e-14 -1.025393037312e-14 ] [ -2.24304726912e-15 -5.239117550016001e-14 3.2043532416e-16 ] [ 3.076179111936e-14 -6.857315937023999e-14 -3.652962695424e-14 ] [ 1.778416049088e-14 7.386034221888001e-14 3.092200878144e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.96247 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.678993258982137e-18 } }