{ "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" [ [ 0.8403174 0.0019487 1.613535 ] [ 0.0637823 2.769237 1.974876 ] [ 2.710551 0.627508 0.2521163 ] [ 2.357874 0.9595638 1.99039 ] [ 1.619464 1.82467 0.5389468 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.403174e-11 1.9487e-13 1.613535e-10 ] [ 6.37823e-12 2.769237e-10 1.974876e-10 ] [ 2.710551e-10 6.27508e-11 2.521163e-11 ] [ 2.357874e-10 9.595638e-11 1.99039e-10 ] [ 1.619464e-10 1.82467e-10 5.389467999999999e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -20.5623871 -15.8274885 -0.1070316 ] [ -0.5599431 0.7455547 0.0800924 ] [ 32.1640888 -31.4009307 -30.3585588 ] [ 20.7653432 4.8344483 42.2244705 ] [ -31.8071019 41.6484161 -11.8389724 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.294457615088302e-08 -2.535843224960371e-08 -1.714835286196344e-10 ] [ -8.971277511895253e-10 1.19451031970888e-09 1.283221718409816e-10 ] [ 5.153255152926109e-08 -5.030983745339326e-08 -4.863977355127508e-08 ] [ 3.326974767203079e-08 7.745640104541021e-09 6.765106001812229e-08 ] [ -5.096059545943699e-08 6.672811911852939e-08 -1.89681249498509e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 17.952145 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.876250724917993e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.7743839 -1.2264011 2.7154802 ] [ -0.1871646 3.6215234 0.9559525 ] [ 2.8187009 0.8844518 -0.4067959 ] [ 2.3221365 0.2965606 1.9718548 ] [ 1.863932 2.6067927 1.1333725 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.743839000000001e-11 -1.2264011e-10 2.7154802e-10 ] [ -1.871646e-11 3.6215234e-10 9.559525e-11 ] [ 2.8187009e-10 8.844518e-11 -4.067959e-11 ] [ 2.3221365e-10 2.965606e-11 1.9718548e-10 ] [ 1.863932e-10 2.6067927e-10 1.1333725e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0001592 -0.0002364 0.0001682 ] [ 0.0002365 -5.54e-05 6.66e-05 ] [ 0.0003571 -0.0002298 -0.0006218 ] [ 7.42e-05 -0.0001925 0.000288 ] [ -0.0005087 0.0007141 9.9e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.550665201328e-13 -3.787545562776e-13 2.694861098387999e-13 ] [ 3.789147739409999e-13 -8.876058552359998e-14 1.067049638244e-13 ] [ 5.721372760014e-13 -3.681801904932e-13 -9.962334310212e-13 ] [ 1.188815062428e-13 -3.084190020449999e-13 4.61426870592e-13 ] [ -8.150272537157998e-13 1.1441143343394e-12 1.58615486766e-13 ] ] } "relaxed-potential-energy" { "source-value" -10.138955 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.624439679417747e-18 } }