{ "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" [ [ 1.971858 1.613185 3.540739 ] [ 1.980532 3.696797 1.101352 ] [ 1.421419 3.841396 3.166588 ] [ 2.933735 5.314328 3.389927 ] [ 3.610376 2.128489 1.767833 ] [ 4.452161 4.502678 1.60274 ] [ 4.038762 3.260824 3.402783 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.971858e-10 1.613185e-10 3.540739e-10 ] [ 1.980532e-10 3.696797e-10 1.101352e-10 ] [ 1.421419e-10 3.841396e-10 3.166588e-10 ] [ 2.933735e-10 5.314328e-10 3.389927e-10 ] [ 3.610376e-10 2.128489e-10 1.767833e-10 ] [ 4.452161e-10 4.502678000000001e-10 1.60274e-10 ] [ 4.038762e-10 3.260824e-10 3.402783e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.7448071 -1.9094068 1.2352476 ] [ 2.305355 4.8301994 2.317289 ] [ -4.6470962 0.1057097 2.0026555 ] [ -2.3324183 0.9343427 -3.9576779 ] [ 0.6988087 -4.7378039 -4.1020311 ] [ 1.4877031 2.6016275 -4.0336615 ] [ 3.2324549 -1.8246686 6.5381784 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.193312532457302e-09 -3.059206959760711e-09 1.979084841924578e-09 ] [ 3.69358591407507e-09 7.738832616240818e-09 3.712706290025226e-09 ] [ -7.44546894759019e-09 1.693656113271498e-10 3.208607848051587e-09 ] [ -3.736946100974002e-09 1.496982042088472e-09 -6.340899056278188e-09 ] [ 1.119614970775916e-09 -7.590798705054072e-09 -6.572178380361316e-09 ] [ 2.383563145149365e-09 4.168266790871835e-09 -6.46263820476539e-09 ] [ 5.178963711238806e-09 -2.923441395713492e-09 1.04753166614035e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -20.906411 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.349576320500057e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9641388 1.6910926 2.9971915 ] [ 2.0158403 3.6700608 1.3681402 ] [ 1.3231919 3.8883479 3.82691 ] [ 2.8828096 5.5208248 2.9160184 ] [ 3.9199342 1.9656003 1.5735808 ] [ 4.4876797 4.3325033 1.5234034 ] [ 3.8152486 3.2892673 3.7667178 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9641388e-10 1.6910926e-10 2.9971915e-10 ] [ 2.0158403e-10 3.6700608e-10 1.3681402e-10 ] [ 1.3231919e-10 3.8883479e-10 3.82691e-10 ] [ 2.8828096e-10 5.5208248e-10 2.9160184e-10 ] [ 3.9199342e-10 1.9656003e-10 1.5735808e-10 ] [ 4.4876797e-10 4.3325033e-10 1.5234034e-10 ] [ 3.8152486e-10 3.2892673e-10 3.7667178e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.28e-05 -4.36e-05 0.0001396 ] [ 0.0002202 5.51e-05 0.0001348 ] [ -9e-06 -8.07e-05 -9.11e-05 ] [ 4.28e-05 -6.96e-05 8.52e-05 ] [ -0.0001229 6.5e-06 4.27e-05 ] [ -1.72e-05 -2.04e-05 7.63e-05 ] [ -0.0001668 0.0001526 -0.0003875 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.45949262752e-14 -6.985490124239999e-14 2.236638581064e-13 ] [ 3.527992948068e-13 8.827993253339999e-14 2.159734102632e-13 ] [ -1.4419589706e-14 -1.292956543638e-13 -1.459582913574e-13 ] [ 6.857315993519999e-14 -1.115114937264e-13 1.365054492168e-13 ] [ -1.969075083186e-13 1.0414148121e-14 6.84129422718e-14 ] [ -2.75574381048e-14 -3.26844033336e-14 1.222460771742e-13 ] [ -2.672430625512e-13 2.444921543484e-13 -6.208434456749999e-13 ] ] } "relaxed-potential-energy" { "source-value" -26.557231 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.254937497194045e-18 } }