{ "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" [ [ 1.570546 2.153895 2.543093 ] [ 2.524346 2.661693 4.212043 ] [ 2.241813 4.238266 2.673997 ] [ 3.729345 1.325386 1.859362 ] [ 4.629957 2.667135 3.458757 ] [ 3.970969 3.734581 1.387215 ] [ 4.050613 4.976756 3.428708 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.570546e-10 2.153895e-10 2.543093e-10 ] [ 2.524346e-10 2.661693e-10 4.212043000000001e-10 ] [ 2.241813e-10 4.238266e-10 2.673997e-10 ] [ 3.729345e-10 1.325386e-10 1.859362e-10 ] [ 4.629957e-10 2.667135e-10 3.458757e-10 ] [ 3.970969e-10 3.734581e-10 1.387215e-10 ] [ 4.050613e-10 4.976756e-10 3.428708e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -12.0274174 -11.6608225 -6.2869968 ] [ 4.5795397 -1.2757375 15.7282091 ] [ -10.7156231 19.5299048 -7.3056595 ] [ 1.8005632 -9.3603258 -4.4908846 ] [ 11.1270695 -6.7378956 8.3432647 ] [ 3.5336232 0.5610998 -19.3781838 ] [ 1.702245 8.9437767 13.3902508 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.927004712564503e-08 -1.868269734272146e-08 -1.007287937099277e-08 ] [ 7.337231501815369e-09 -2.043956813617575e-09 2.519936911468617e-08 ] [ -1.716832094957064e-08 3.129035713480444e-08 -1.170495694686012e-08 ] [ 2.884820287080268e-09 -1.499689528338735e-08 -7.195190372110436e-09 ] [ 1.782753075779406e-08 -1.079529889265141e-08 1.336738375361702e-08 ] [ 5.661488524400309e-09 8.989809889020731e-10 -3.104727329371732e-08 ] [ 2.72729716434333e-09 1.432951004845363e-08 2.145354695515981e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -11.104126 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.779077121819188e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4657842 1.8578008 2.5691863 ] [ 2.6031336 3.0313552 4.491289 ] [ 1.9571801 4.3269724 2.4049324 ] [ 3.6362621 1.3369148 1.5737467 ] [ 4.8144409 2.5006809 3.4771096 ] [ 4.1684842 3.7962878 1.3907501 ] [ 4.072304 4.9077002 3.6561609 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4657842e-10 1.8578008e-10 2.5691863e-10 ] [ 2.6031336e-10 3.031355200000001e-10 4.491289e-10 ] [ 1.9571801e-10 4.3269724e-10 2.4049324e-10 ] [ 3.6362621e-10 1.3369148e-10 1.5737467e-10 ] [ 4.814440900000001e-10 2.5006809e-10 3.4771096e-10 ] [ 4.1684842e-10 3.7962878e-10 1.3907501e-10 ] [ 4.072304e-10 4.9077002e-10 3.6561609e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.02e-05 4.6e-05 3.83e-05 ] [ -1.17e-05 -1.59e-05 -7.7e-06 ] [ -5.1e-06 -6e-07 -1.63e-05 ] [ 3.02e-05 1.59e-05 -1.91e-05 ] [ 9.5e-06 -3.62e-05 5.3e-05 ] [ -3.55e-05 1.21e-05 -3.21e-05 ] [ -7.5e-06 -2.13e-05 -1.6e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.236396800679999e-14 7.370012516399999e-14 6.13633650822e-14 ] [ -1.87454666178e-14 -2.54746084806e-14 -1.23367600818e-14 ] [ -8.1711008334e-15 -9.613059803999998e-16 -2.61154791342e-14 ] [ 4.838573434679999e-14 2.54746084806e-14 -3.06015737094e-14 ] [ 1.5220678023e-14 -5.799879415079998e-14 8.491536160199999e-14 ] [ -5.6877270507e-14 1.93863372714e-14 -5.14298699514e-14 ] [ -1.2016324755e-14 -3.41263623042e-14 -2.5634826144e-14 ] ] } "relaxed-potential-energy" { "source-value" -26.566249 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.256382340082586e-18 } }