{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.769072 1.556883 1.447632 ] [ 2.706705 2.541189 3.648112 ] [ 2.031108 4.136433 1.782649 ] [ 3.490046 0.5483522 2.253956 ] [ 3.629143 2.897596 1.184251 ] [ 4.796562 2.667265 3.117649 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.769072e-10 1.556883e-10 1.447632e-10 ] [ 2.706705e-10 2.541189e-10 3.648112e-10 ] [ 2.031108e-10 4.136433e-10 1.782649e-10 ] [ 3.490046e-10 5.483522e-11 2.253956e-10 ] [ 3.629143e-10 2.897596e-10 1.184251e-10 ] [ 4.796562e-10 2.667265e-10 3.117649e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.5402956 1.1631362 -1.4194956 ] [ -4.2921069 0.1362547 1.0264343 ] [ -4.3642879 2.5094755 1.8710797 ] [ 3.9463298 -1.6595033 1.9817916 ] [ 5.2520268 -1.4619323 -4.154851 ] [ 4.9983336 -0.6874309 0.695041 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.876532082641109e-09 1.863549626446153e-09 -2.274282663648469e-09 ] [ -6.876713329154363e-09 2.183040948141178e-10 1.644529038247214e-09 ] [ -6.992360039820329e-09 4.02062297657039e-09 2.997800150993478e-09 ] [ 6.32271734352634e-09 -2.658817389400448e-09 3.175180168817825e-09 ] [ 8.414674550775038e-09 -2.342273752252372e-09 -6.6568051351075e-09 ] [ 8.0082132368791e-09 -1.101385716395503e-09 1.113578440697453e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.42439 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.311042042730131e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.5855865 1.6901859 1.4507268 ] [ 2.5145216 2.5041088 3.6768457 ] [ 1.9562839 4.0725405 1.8876179 ] [ 3.6488523 0.6664322 2.3288056 ] [ 3.8214248 2.8005355 0.9515671 ] [ 4.8959669 2.6139153 3.1386859 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5855865e-10 1.6901859e-10 1.4507268e-10 ] [ 2.5145216e-10 2.5041088e-10 3.6768457e-10 ] [ 1.9562839e-10 4.0725405e-10 1.8876179e-10 ] [ 3.6488523e-10 6.664322e-11 2.3288056e-10 ] [ 3.8214248e-10 2.8005355e-10 9.515671e-11 ] [ 4.895966900000001e-10 2.6139153e-10 3.1386859e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.5e-05 4.04e-05 8.1e-06 ] [ 2.08e-05 1.65e-05 -2.81e-05 ] [ -3.17e-05 -1.71e-05 -1.23e-05 ] [ 9.9e-06 -2.96e-05 6.9e-06 ] [ -1.4e-05 7e-06 3.38e-05 ] [ -9.9e-06 -1.73e-05 -8.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.005441552e-14 6.472793548032e-14 1.297763062848e-14 ] [ 3.332527371264e-14 2.64359142432e-14 -4.502116304448e-14 ] [ -5.078899887936e-14 -2.739722021568e-14 -1.970677243584e-14 ] [ 1.586154854592e-14 -4.742442797568e-14 1.105501868352e-14 ] [ -2.24304726912e-14 1.12152363456e-14 5.415356978304e-14 ] [ -1.586154854592e-14 -2.771765553984e-14 -1.36185012768e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.587451 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.817820281166558e-18 } }