{ "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" [ [ 0.0417064 1.393533 2.342657 ] [ 0.9221083 2.569653 0.2410471 ] [ 1.810038 0.5140043 0.5075901 ] [ 2.608454 2.928842 0.8878785 ] [ 2.606177 1.867368 2.693771 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.17064e-12 1.393533e-10 2.342657e-10 ] [ 9.221083e-11 2.569653e-10 2.410471e-11 ] [ 1.810038e-10 5.140043e-11 5.075901e-11 ] [ 2.608454e-10 2.928842e-10 8.878785000000001e-11 ] [ 2.606177e-10 1.867368e-10 2.693771e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.6893874 0.2999462 2.1054682 ] [ -6.0300593 4.2599927 -2.1085494 ] [ 3.7410289 -5.3259412 -2.5798021 ] [ 4.0722397 0.9853044 -1.6041349 ] [ 0.9061781 -0.219302 4.1870182 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.308873652054011e-09 4.805667930970908e-10 3.373331953670038e-09 ] [ -9.661220112094395e-09 6.825260764950571e-09 -3.378268580314719e-09 ] [ 5.993789090698722e-09 -8.53309854469792e-09 -4.133298644964132e-09 ] [ 6.524447295387169e-09 1.578631687057389e-09 -2.570107454563926e-09 ] [ 1.451857378062515e-09 -3.51360540189468e-10 6.708342726172738e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.0312701 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.286751329556284e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.0403038 1.7030885 2.5559088 ] [ 0.747153 2.552729 0.3434491 ] [ 2.139718 0.2665541 -0.1554774 ] [ 2.5991435 2.7477588 0.771558 ] [ 2.542773 2.0032699 3.1575052 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.03038e-12 1.7030885e-10 2.5559088e-10 ] [ 7.47153e-11 2.552729e-10 3.434491e-11 ] [ 2.139718e-10 2.665541e-11 -1.554774e-11 ] [ 2.5991435e-10 2.7477588e-10 7.71558e-11 ] [ 2.542773e-10 2.0032699e-10 3.1575052e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.005178 0.0430174 0.0397341 ] [ -0.12816 -0.0759746 -0.0081614 ] [ 0.0178147 0.0312427 -0.0902299 ] [ 0.1485005 -0.0347368 0.0362658 ] [ -0.0329772 0.0364513 0.0223913 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.296070610851999e-12 6.892147313543159e-11 6.366104659301939e-11 ] [ -2.0533495741344e-10 -1.217247288974964e-10 -1.30760043807276e-11 ] [ 2.85422960817198e-11 5.00563239230718e-11 -1.445642374681566e-10 ] [ 2.37924031237317e-10 -5.56544892999312e-11 5.81042173733172e-11 ] [ -5.283529929474479e-11 5.84014211389242e-11 3.58748176648842e-11 ] ] } "relaxed-potential-energy" { "source-value" -11.271017 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.805816007881678e-18 } }