{ "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" [ [ 0.9192407 0.3679632 0.2084149 ] [ 0.7009294 0.9640354 2.373703 ] [ 0.5234459 2.737555 0.0024849 ] [ 2.754814 0.6958427 0.7664459 ] [ 2.641472 1.152124 2.712512 ] [ 2.849889 2.552424 1.475764 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.192407e-11 3.679632e-11 2.084149e-11 ] [ 7.009294e-11 9.640354e-11 2.373703e-10 ] [ 5.234459e-11 2.737555e-10 2.4849e-13 ] [ 2.754814e-10 6.958427e-11 7.664459e-11 ] [ 2.641472e-10 1.152124e-10 2.712512e-10 ] [ 2.849889e-10 2.552424e-10 1.475764e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.6128378 -1.1818952 -3.1427706 ] [ -6.2707376 -0.2894499 -0.5780293 ] [ 1.0889065 -0.8758676 0.9412501 ] [ 7.3809679 -6.0820759 -6.0223227 ] [ 4.501471 -6.0713744 14.1432916 ] [ 0.91223 14.5006631 -5.3414192 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.219711074110251e-08 -1.89360485767574e-09 -5.035273579857589e-09 ] [ -1.00468291778915e-08 -4.637498626728979e-10 -9.261050305973894e-10 ] [ 1.744620536537155e-09 -1.403294591636206e-09 1.508048904545662e-09 ] [ 1.182561420825527e-08 -9.74455981291112e-09 -9.648824632853132e-09 ] [ 7.212151595409196e-09 -9.727414119803627e-09 2.266005114267703e-08 ] [ 1.461553578792384e-09 2.323262340491725e-08 -8.557896964132239e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.032858 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.767658714820625e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8587833 0.3177548 0.0836637 ] [ 0.2886163 1.0283433 2.3077127 ] [ 0.5886017 2.6567899 0.5656966 ] [ 3.1647144 0.4724795 0.6253866 ] [ 2.5945446 1.1830669 2.849441 ] [ 2.8945307 2.8115099 1.1074241 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.587833000000001e-11 3.177548e-11 8.36637e-12 ] [ 2.886163e-11 1.0283433e-10 2.3077127e-10 ] [ 5.886017e-11 2.6567899e-10 5.656966e-11 ] [ 3.1647144e-10 4.724795e-11 6.253866e-11 ] [ 2.5945446e-10 1.1830669e-10 2.849441e-10 ] [ 2.8945307e-10 2.8115099e-10 1.1074241e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.8e-06 -1.49e-05 -2.6e-05 ] [ -2.23e-05 5.8e-06 2.56e-05 ] [ -2.18e-05 2.08e-05 -4.9e-06 ] [ 2.15e-05 -3.35e-05 -1.18e-05 ] [ 1.15e-05 -5e-06 1.78e-05 ] [ 5.3e-06 2.67e-05 -7e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.292624400640001e-15 -2.387243164992e-14 -4.16565921408e-14 ] [ -3.572853864384e-14 9.292624400640001e-15 4.101572149248001e-14 ] [ -3.492745033344e-14 3.332527371264e-14 -7.850665441919999e-15 ] [ 3.44467973472e-14 -5.36729167968e-14 -1.890568412544e-14 ] [ 1.84250311392e-14 -8.010883104e-15 2.851874385024e-14 ] [ 8.491536090240001e-15 4.277811577536e-14 -1.12152363456e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.513765 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.806014482518531e-18 } }