{ "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" [ [ 2.317023 1.146232 2.35214 ] [ 1.137751 1.512768 4.697187 ] [ 2.525224 3.828296 5.439775 ] [ 1.195151 3.273987 3.261847 ] [ 3.958209 2.788765 2.245111 ] [ 4.201729 2.884975 4.427405 ] [ 3.756146 4.818354 3.421856 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.317023e-10 1.146232e-10 2.35214e-10 ] [ 1.137751e-10 1.512768e-10 4.697187e-10 ] [ 2.525224e-10 3.828296e-10 5.439775e-10 ] [ 1.195151e-10 3.273987e-10 3.261847e-10 ] [ 3.958209e-10 2.788765e-10 2.245111e-10 ] [ 4.201729000000001e-10 2.884975e-10 4.427405e-10 ] [ 3.756146e-10 4.818354e-10 3.421856e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.5808182 1.8158369 2.3068434 ] [ 1.8370219 0.4744409 -0.0695295 ] [ -3.6079404 -0.0865719 -2.2670535 ] [ 4.5837611 0.5112742 -0.5458384 ] [ -1.8405621 0.6227015 -1.2487378 ] [ 3.1706283 -2.7747659 1.2917939 ] [ -2.5620906 -0.5629156 0.5325219 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.532749961775138e-09 2.909291428365948e-09 3.695970563326783e-09 ] [ 2.943233540077596e-09 7.601381179313108e-10 -1.113985393559136e-10 ] [ -5.7805577581198e-09 -1.387034741982355e-10 -3.632220115802813e-09 ] [ 7.343994869752492e-09 8.191515700582234e-10 -8.745295232148786e-10 ] [ -2.948905565750552e-09 9.976777850370914e-10 -2.000698508669226e-09 ] [ 5.079906535506849e-09 -4.44566505317307e-09 2.069681985472053e-09 ] [ -4.104921659691444e-09 -9.018902138036044e-10 8.531941382439955e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -26.696444 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.277241843529644e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0358514 1.1955927 2.3948117 ] [ 1.9519164 1.6641806 4.6675668 ] [ 2.2145424 3.8851125 5.3045285 ] [ 1.5017947 3.443439 3.0280568 ] [ 3.7434647 2.7644241 2.2729387 ] [ 4.1276243 2.6162229 4.6125062 ] [ 3.5160393 4.6844053 3.5649124 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0358514e-10 1.1955927e-10 2.3948117e-10 ] [ 1.9519164e-10 1.6641806e-10 4.6675668e-10 ] [ 2.2145424e-10 3.8851125e-10 5.3045285e-10 ] [ 1.5017947e-10 3.443439e-10 3.0280568e-10 ] [ 3.7434647e-10 2.7644241e-10 2.2729387e-10 ] [ 4.1276243e-10 2.6162229e-10 4.612506200000001e-10 ] [ 3.5160393e-10 4.6844053e-10 3.5649124e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.29e-05 1.67e-05 6.1e-06 ] [ 2.07e-05 2.5e-06 -2.61e-05 ] [ -5.8e-06 2.4e-06 -1.22e-05 ] [ -1.6e-06 -2.35e-05 1.72e-05 ] [ 8.4e-06 1.75e-05 2.88e-05 ] [ -1.13e-05 1.93e-05 -3.2e-06 ] [ 1.25e-05 -3.49e-05 -1.05e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.668984461632e-14 2.675634956736e-14 9.77327738688e-15 ] [ 3.316505605055999e-14 4.005441552e-15 -4.181680980288e-14 ] [ -9.292624400640001e-15 3.84522388992e-15 -1.954655477376e-14 ] [ -2.56348259328e-15 -3.76511505888e-14 2.755743787776e-14 ] [ 1.345828361472e-14 2.8038090864e-14 4.614268667904e-14 ] [ -1.810459581504e-14 3.092200878144e-14 -5.126965186560001e-15 ] [ 2.002720776e-14 -5.591596406592e-14 -1.68228545184e-14 ] ] } "relaxed-potential-energy" { "source-value" -30.380528 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.867497168915979e-18 } }