{ "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" [ [ 2.026325 2.332401 2.957561 ] [ 3.78119 1.739305 1.09586 ] [ 4.095572 1.356929 3.585425 ] [ 3.432411 4.018052 0.5968462 ] [ 4.864307 3.437474 2.341714 ] [ 3.124173 4.42761 2.898506 ] [ 3.279186 3.336979 4.610213 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.026325e-10 2.332401e-10 2.957561e-10 ] [ 3.78119e-10 1.739305e-10 1.09586e-10 ] [ 4.095572e-10 1.356929e-10 3.585425e-10 ] [ 3.432411e-10 4.018052e-10 5.968462e-11 ] [ 4.864307000000001e-10 3.437474e-10 2.341714e-10 ] [ 3.124173e-10 4.42761e-10 2.898506e-10 ] [ 3.279186e-10 3.336979e-10 4.610213e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.4166679 0.0843682 -3.5961552 ] [ -1.1776053 -0.1237191 2.0959733 ] [ 0.524083 0.9936263 -1.5582826 ] [ -1.0023859 -1.2183612 -0.5608436 ] [ 2.7814568 -3.5755363 1.7090097 ] [ -4.9050856 7.2334631 -2.9733419 ] [ 2.3628693 -3.393841 4.8836404 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.269752188817832e-09 1.351727575789786e-10 -5.761675786208348e-09 ] [ -1.88673168019017e-09 -1.982198495664173e-10 3.358119419081025e-09 ] [ 8.396735299587263e-10 1.591964827672007e-09 -2.496643950319438e-09 ] [ -1.605999253999567e-09 -1.952029830329833e-09 -8.985705038453068e-10 ] [ 4.456385056725182e-09 -5.728640666681735e-09 2.738135386060421e-09 ] [ -7.85881347134274e-09 1.158928546623949e-08 -4.763818877825052e-09 ] [ 3.785733950466061e-09 -5.437532704912494e-09 7.82445447327436e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -26.107187 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.182832464625369e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2911047 2.571801 2.6170031 ] [ 3.9104358 1.5397878 1.1156563 ] [ 4.0838149 1.1903025 3.5219626 ] [ 3.1901931 3.8378837 0.7381825 ] [ 4.7383713 3.3278406 2.5504609 ] [ 2.9184866 4.9087154 2.9111938 ] [ 3.4707577 3.272419 4.6316661 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2911047e-10 2.571801e-10 2.6170031e-10 ] [ 3.910435800000001e-10 1.5397878e-10 1.1156563e-10 ] [ 4.0838149e-10 1.1903025e-10 3.5219626e-10 ] [ 3.1901931e-10 3.8378837e-10 7.381825e-11 ] [ 4.7383713e-10 3.3278406e-10 2.5504609e-10 ] [ 2.9184866e-10 4.9087154e-10 2.9111938e-10 ] [ 3.4707577e-10 3.272419e-10 4.631666100000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8.43e-05 -1.82e-05 1.07e-05 ] [ -3.53e-05 -8.23e-05 -3.9e-06 ] [ 3.08e-05 5.1e-06 -3.07e-05 ] [ 6.27e-05 2.14e-05 -1.8e-06 ] [ 8.28e-05 1.65e-05 1.63e-05 ] [ -7.42e-05 5.17e-05 3.09e-05 ] [ 1.75e-05 5.7e-06 -2.15e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.3506348913344e-13 -2.915961449856e-14 1.714328984256e-14 ] [ -5.655683471424e-14 -1.3185913589184e-13 -6.24848882112e-15 ] [ 4.934703992064001e-14 8.17110076608e-15 -4.918682225856e-14 ] [ 1.0045647412416e-13 3.428657968511999e-14 -2.88391791744e-15 ] [ 1.3266022420224e-13 2.64359142432e-14 2.611547891904e-14 ] [ -1.1888150526336e-13 8.283253129536002e-14 4.950725758272e-14 ] [ 2.8038090864e-14 9.13240673856e-15 -3.44467973472e-14 ] ] } "relaxed-potential-energy" { "source-value" -31.275942 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.010958306589679e-18 } }