{ "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" [ [ 2.70835 3.598 3.116557 ] [ 5.398567 2.472121 1.998263 ] [ 3.170959 1.761622 1.993892 ] [ 5.798068 2.225895 4.322659 ] [ 3.522139 1.857386 4.354431 ] [ 3.141461 3.938126 0.8725825 ] [ 4.820562 4.158888 3.263025 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.70835e-10 3.598e-10 3.116557e-10 ] [ 5.398567e-10 2.472121e-10 1.998263e-10 ] [ 3.170959e-10 1.761622e-10 1.993892e-10 ] [ 5.798068e-10 2.225895e-10 4.322659e-10 ] [ 3.522139e-10 1.857386e-10 4.354431e-10 ] [ 3.141461e-10 3.938126e-10 8.725825e-11 ] [ 4.820562e-10 4.158888e-10 3.263025e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.8586294 3.1901048 2.868197 ] [ 1.9743661 -0.3635806 -2.7147012 ] [ -0.7103588 -4.3698539 -2.4391872 ] [ 1.6783844 -0.6222762 1.1474923 ] [ -1.6131618 -1.7731079 2.4402863 ] [ 0.7040749 0.6576859 -1.7598192 ] [ 1.8253246 3.2810279 0.457732 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.182205863945439e-09 5.111111370571242e-09 4.595358215108897e-09 ] [ 3.163283232381707e-09 -5.825203418957003e-10 -4.34943083093176e-09 ] [ -1.138120271116279e-09 -7.001277812573772e-09 -3.908008737791885e-09 ] [ 2.68906826855011e-09 -9.969963875343105e-10 1.838485350754918e-09 ] [ -2.584570142821381e-09 -2.840832046940808e-09 3.909769690130314e-09 ] [ 1.128052353365886e-09 1.053728981491261e-09 -2.819541202304572e-09 ] [ 2.924492423585396e-09 5.256786236882088e-09 7.33367515034088e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -15.63742906491639 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.505392346364151e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3404446 3.6771784 3.4979241 ] [ 5.6772542 2.3177419 1.7159137 ] [ 3.2429877 1.7274594 2.0352455 ] [ 5.6272148 2.2760427 4.1513192 ] [ 3.4122488 1.7290655 4.4937044 ] [ 3.5116654 3.9656261 0.9374799 ] [ 4.7482904 4.3189241 3.0898228 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3404446e-10 3.6771784e-10 3.4979241e-10 ] [ 5.6772542e-10 2.3177419e-10 1.7159137e-10 ] [ 3.2429877e-10 1.7274594e-10 2.0352455e-10 ] [ 5.6272148e-10 2.2760427e-10 4.1513192e-10 ] [ 3.4122488e-10 1.7290655e-10 4.493704400000001e-10 ] [ 3.5116654e-10 3.9656261e-10 9.374799e-11 ] [ 4.748290400000001e-10 4.3189241e-10 3.0898228e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.4e-05 2.8e-05 6.49e-05 ] [ 1.63e-05 -4.29e-05 -1.52e-05 ] [ -3.7e-06 -2.17e-05 -2.51e-05 ] [ -5.49e-05 2.35e-05 2.19e-05 ] [ 4.67e-05 -3e-05 -1.63e-05 ] [ 1.24e-05 5.7e-06 -3.54e-05 ] [ 7.2e-06 3.73e-05 5.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.8452239216e-14 4.486094575199999e-14 1.039812635466e-13 ] [ 2.61154791342e-14 -6.873337759859999e-14 -2.43530848368e-14 ] [ -5.9280535458e-15 -3.476723295779999e-14 -4.02146335134e-14 ] [ -8.795949720659999e-14 3.765115089899999e-14 3.50876682846e-14 ] [ 7.482164880779999e-14 -4.806529901999999e-14 -2.61154791342e-14 ] [ 1.98669902616e-14 9.1324068138e-15 -5.671705284359999e-14 ] [ 1.15356717648e-14 5.97611884482e-14 8.331318496799998e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.04793206491639 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.891597504642841e-18 } }