{ "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" [ [ 2.180035 1.415878 2.755479 ] [ 0.3300308 2.592052 2.653614 ] [ 2.100058 3.620481 1.423788 ] [ 2.171562 4.236408 3.751897 ] [ 3.719666 3.140383 2.648489 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.180035e-10 1.415878e-10 2.755479e-10 ] [ 3.300308e-11 2.592052e-10 2.653614e-10 ] [ 2.100058e-10 3.620481e-10 1.423788e-10 ] [ 2.171562e-10 4.236408e-10 3.751897e-10 ] [ 3.719666e-10 3.140383e-10 2.648489e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.9261341 -1.2168405 -0.0999527 ] [ -0.6099083 1.1291019 0.1880671 ] [ -2.4911469 0.6379999 -1.828336 ] [ -1.3956007 0.6467468 0.5623941 ] [ 3.5705218 -1.197008 1.1778274 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.483830414970619e-09 -1.949593416404877e-09 -1.601418804452118e-10 ] [ -9.77180827142662e-10 1.809020681585004e-09 3.013167132441413e-10 ] [ -3.991257355041534e-09 1.022188532274336e-09 -2.929317218301024e-09 ] [ -2.235998831934043e-09 1.036202611074271e-09 9.010546861194593e-10 ] [ 5.720606599147621e-09 -1.917818248311072e-09 1.887087539164971e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.411679 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.988570208250848e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2598726 1.3038323 2.3496396 ] [ 0.4278346 2.7169362 2.9879023 ] [ 2.0338163 3.48358 1.3876157 ] [ 1.9738953 4.4569703 3.5732112 ] [ 3.805933 3.0438833 2.9348982 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2598726e-10 1.3038323e-10 2.3496396e-10 ] [ 4.278346e-11 2.7169362e-10 2.9879023e-10 ] [ 2.0338163e-10 3.48358e-10 1.3876157e-10 ] [ 1.9738953e-10 4.4569703e-10 3.5732112e-10 ] [ 3.805933e-10 3.0438833e-10 2.9348982e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.7e-06 3.23e-05 -1.6e-05 ] [ 4.18e-05 3.4e-06 9.4e-06 ] [ -8.6e-06 -5.2e-06 3.31e-05 ] [ 8.7e-06 -2.84e-05 -4.83e-05 ] [ -3.92e-05 -2.2e-06 2.17e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.3258769118e-15 5.17503052782e-14 -2.5634826144e-14 ] [ 6.697098330119999e-14 5.4474005556e-15 1.50604603596e-14 ] [ -1.37787190524e-14 -8.331318496799998e-15 5.303204658539999e-14 ] [ 1.39389367158e-14 -4.550181640559999e-14 -7.73851314222e-14 ] [ -6.280532405279998e-14 -3.5247885948e-15 3.476723295779999e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.3401 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.13731965152234e-18 } }