{ "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" [ [ 2.596447 0.5894877 3.838334 ] [ 1.369077 2.86119 3.866131 ] [ 2.011058 5.105046 2.796353 ] [ 3.116098 2.834339 2.386368 ] [ 3.638135 2.33604 4.892399 ] [ 3.921466 4.7829 1.89112 ] [ 5.122204 3.316972 3.335617 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.596447e-10 5.894877e-11 3.838334e-10 ] [ 1.369077e-10 2.86119e-10 3.866131e-10 ] [ 2.011058e-10 5.105046e-10 2.796353e-10 ] [ 3.116098e-10 2.834339e-10 2.386368e-10 ] [ 3.638135e-10 2.33604e-10 4.892399e-10 ] [ 3.921466e-10 4.7829e-10 1.89112e-10 ] [ 5.122204e-10 3.316972e-10 3.335617e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.9980816 -0.1898902 -1.1862402 ] [ -1.3968602 0.4082905 1.7506036 ] [ -3.6502819 -0.3391791 1.6976317 ] [ -1.8262336 -5.3805345 -1.4133494 ] [ 0.2972944 1.1405515 0.7534852 ] [ 4.8877725 3.7617803 -2.4986449 ] [ 2.6863903 0.5989816 0.896514 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.599103005170657e-09 -3.042376389590362e-10 -1.900566315093116e-09 ] [ -2.238016754966012e-09 6.541534935947425e-10 2.804776160208315e-09 ] [ -5.848396319509403e-09 -5.434248242839853e-10 2.71990582046896e-09 ] [ -2.925948778039419e-09 -8.620566583307819e-09 -2.264435365701708e-09 ] [ 4.763181371747635e-10 1.827364948118371e-09 1.207216371558812e-09 ] [ 7.831074827289168e-09 6.02703644924601e-09 -4.003270442461154e-09 ] [ 4.304071733003898e-09 9.596743158093774e-10 1.436373771019891e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.688047 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.154372861261158e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2193586 0.7716659 3.6546931 ] [ 1.4832619 3.0469333 4.2564435 ] [ 1.7150939 4.6476558 2.4599995 ] [ 3.1928145 2.6676136 2.3522521 ] [ 3.7876156 2.2626948 4.8371386 ] [ 4.0584402 5.0079217 2.0779079 ] [ 5.3179002 3.4214896 3.3678873 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2193586e-10 7.716659e-11 3.6546931e-10 ] [ 1.4832619e-10 3.0469333e-10 4.2564435e-10 ] [ 1.7150939e-10 4.6476558e-10 2.4599995e-10 ] [ 3.1928145e-10 2.6676136e-10 2.3522521e-10 ] [ 3.7876156e-10 2.2626948e-10 4.8371386e-10 ] [ 4.0584402e-10 5.0079217e-10 2.0779079e-10 ] [ 5.317900200000001e-10 3.4214896e-10 3.3678873e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.1e-06 1.15e-05 -7.3e-06 ] [ 1.2e-05 1.15e-05 -1.6e-06 ] [ -5.2e-06 -1.14e-05 -1.91e-05 ] [ 1.5e-06 -1.7e-06 1.38e-05 ] [ 1.78e-05 6.3e-06 -1.08e-05 ] [ -1e-05 -3.8e-06 2.6e-05 ] [ -1.3e-05 -1.25e-05 -1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.96674752448e-15 1.84250311392e-14 -1.169588933184e-14 ] [ 1.92261194496e-14 1.84250311392e-14 -2.56348259328e-15 ] [ -8.33131842816e-15 -1.826481347712e-14 -3.060157345728e-14 ] [ 2.4032649312e-15 -2.72370025536e-15 2.211003736704e-14 ] [ 2.851874385024e-14 1.009371271104e-14 -1.730350750464e-14 ] [ -1.6021766208e-14 -6.08827115904e-15 4.16565921408e-14 ] [ -2.08282960704e-14 -2.002720776e-14 -1.6021766208e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.879137 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.505424178468025e-18 } }