{ "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" [ [ 1.60665 2.271209 0.858315 ] [ 1.14021 1.706761 3.269891 ] [ 0.6855745 3.746661 2.498398 ] [ 2.590166 5.193842 1.980174 ] [ 3.090456 3.322533 2.927067 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.60665e-10 2.271209e-10 8.58315e-11 ] [ 1.14021e-10 1.706761e-10 3.269891e-10 ] [ 6.855745e-11 3.746661e-10 2.498398e-10 ] [ 2.590166e-10 5.193842e-10 1.980174e-10 ] [ 3.090456e-10 3.322533e-10 2.927067e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.7644818 -1.1207496 -1.6953679 ] [ 0.1510998 -3.8717607 2.0914633 ] [ -4.1053535 4.2657404 -0.4860689 ] [ -0.1862361 4.1832181 -1.6006591 ] [ 3.376008 -3.4564482 1.6906325 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.224834866987101e-09 -1.795638806890951e-09 -2.716278813034792e-09 ] [ 2.420885669675559e-10 -6.203244474872242e-09 3.350893602521216e-09 ] [ -6.577501397819452e-09 6.834469539282041e-09 -7.787682276779732e-10 ] [ -2.983831253689709e-10 6.702254239527397e-09 -2.564538587890769e-09 ] [ 5.408961089233766e-09 -5.537840497046242e-09 2.708691865864656e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.1073639 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.298942889689791e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.6505148 2.0114278 0.9072025 ] [ 1.2210788 1.9078119 3.4727761 ] [ 0.4826395 3.9585762 2.1111744 ] [ 2.4374988 5.2965454 2.4923904 ] [ 3.3213247 3.0666447 2.5503016 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6505148e-10 2.0114278e-10 9.072025e-11 ] [ 1.2210788e-10 1.9078119e-10 3.4727761e-10 ] [ 4.826395e-11 3.9585762e-10 2.1111744e-10 ] [ 2.4374988e-10 5.296545400000001e-10 2.4923904e-10 ] [ 3.3213247e-10 3.0666447e-10 2.5503016e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8.3e-06 -2.06e-05 -6.9e-06 ] [ 5.4e-06 1.6e-05 -5.9e-06 ] [ 4.8e-06 4e-07 -2.6e-06 ] [ -4.7e-06 3.9e-06 1.63e-05 ] [ 2.7e-06 3e-07 -9e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.329806595264e-14 -3.300483838848e-14 -1.105501868352e-14 ] [ 8.65175375232e-15 2.56348259328e-14 -9.45284206272e-15 ] [ 7.69044777984e-15 6.408706483200001e-16 -4.16565921408e-15 ] [ -7.53023011776e-15 6.24848882112e-15 2.611547891904e-14 ] [ 4.32587687616e-15 4.8065298624e-16 -1.44195895872e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.750145 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.722363098921002e-18 } }