{ "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" [ [ 1.999551 1.685791 2.486539 ] [ 2.806467 1.943327 4.558328 ] [ 1.52714 3.922099 3.002179 ] [ 4.336396 2.072479 2.061694 ] [ 5.046676 1.88237 4.081611 ] [ 3.556935 4.352885 1.849563 ] [ 3.300335 4.140991 4.307093 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.999551e-10 1.685791e-10 2.486539e-10 ] [ 2.806467e-10 1.943327e-10 4.558328e-10 ] [ 1.52714e-10 3.922099e-10 3.002179e-10 ] [ 4.336396e-10 2.072479e-10 2.061694e-10 ] [ 5.046676e-10 1.88237e-10 4.081611e-10 ] [ 3.556935e-10 4.352885e-10 1.849563e-10 ] [ 3.300335e-10 4.140991e-10 4.307093e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.8433179 -3.1222839 -3.2336381 ] [ -1.4074121 -3.6800056 5.6882904 ] [ -5.5161659 2.0796441 -1.813603 ] [ 1.5702567 -0.6181166 -5.0419267 ] [ 3.4004687 -0.7123974 2.7017825 ] [ 1.7467663 1.6223615 -2.6178694 ] [ 3.0494042 4.4307979 4.3169643 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.555497464882153e-09 -5.002450268080245e-09 -5.180859363948133e-09 ] [ -2.254922762451031e-09 -5.896018936733077e-09 9.11364589120108e-09 ] [ -8.83787204143419e-09 3.331957156604657e-09 -2.905712326012742e-09 ] [ 2.51582857339456e-09 -9.903319654483852e-10 -8.078057082527296e-09 ] [ 5.448151450902168e-09 -1.141386458998706e-09 4.328732755986576e-09 ] [ 2.798628127861319e-09 2.599309665786019e-09 -4.194289148987724e-09 ] [ 4.885684116609327e-09 7.098920806869736e-09 6.916539274288238e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.908126 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.708980417874062e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0580041 1.4291512 2.3451963 ] [ 2.4748174 1.9443189 4.7560337 ] [ 1.4900985 3.7584641 3.0544916 ] [ 4.31778 2.0763338 1.7274491 ] [ 4.8800568 2.1024418 4.091806 ] [ 3.6334956 4.3989461 1.9377921 ] [ 3.7192475 4.2902861 4.4342382 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0580041e-10 1.4291512e-10 2.3451963e-10 ] [ 2.4748174e-10 1.9443189e-10 4.7560337e-10 ] [ 1.4900985e-10 3.7584641e-10 3.0544916e-10 ] [ 4.31778e-10 2.0763338e-10 1.7274491e-10 ] [ 4.8800568e-10 2.1024418e-10 4.091806e-10 ] [ 3.6334956e-10 4.3989461e-10 1.9377921e-10 ] [ 3.7192475e-10 4.2902861e-10 4.434238200000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.41e-05 -1.68e-05 -2.89e-05 ] [ 2.01e-05 5.83e-05 -1.98e-05 ] [ 4.89e-05 -4.11e-05 2.35e-05 ] [ 1e-06 1.2e-06 -4.6e-06 ] [ -4.31e-05 8.5e-06 2.57e-05 ] [ -2.64e-05 1.31e-05 1.11e-05 ] [ 1.35e-05 -2.31e-05 -7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.259069035328e-14 -2.691656722944e-14 -4.630290434112001e-14 ] [ 3.220375007808e-14 9.340689699264e-14 -3.172309709184e-14 ] [ 7.834643675712001e-14 -6.584945911488e-14 3.76511505888e-14 ] [ 1.6021766208e-15 1.92261194496e-15 -7.370012455680001e-15 ] [ -6.905381235648e-14 1.36185012768e-14 4.117593915456e-14 ] [ -4.229746278912e-14 2.098851373248e-14 1.778416049088e-14 ] [ 2.16293843808e-14 -3.701027994048e-14 -1.12152363456e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.651699 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.148549269679874e-18 } }