{ "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" [ [ 1.60665 2.271209 0.858315 ] [ 1.14021 1.706761 3.269891 ] [ 0.6855745 3.746661 2.498398 ] [ 2.590166 5.193842 1.980174 ] [ 3.090456 3.322533 2.927067 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.60665e-10 2.271209e-10 8.58315e-11 ] [ 1.14021e-10 1.706761e-10 3.269891e-10 ] [ 6.855745e-11 3.746661e-10 2.498398e-10 ] [ 2.590166e-10 5.193842e-10 1.980174e-10 ] [ 3.090456e-10 3.322533e-10 2.927067e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.2397801 -8.5276997 -18.1748976 ] [ -4.6883026 -12.7734337 10.3725306 ] [ -19.8385405 10.6685017 0.5989958 ] [ 3.2519924 10.7103219 -2.1665267 ] [ 22.5146309 -0.0776901 9.3698979 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.986346691153086e-09 -1.366288108854317e-08 -2.911939602015404e-08 ] [ -7.511488816955855e-09 -2.046529684147884e-08 1.66186260258526e-08 ] [ -3.178484577989394e-08 1.709282400270506e-08 9.596970667173926e-10 ] [ 5.210266194299282e-09 1.715982734942224e-08 -3.471158427078975e-09 ] [ 3.607241525392126e-08 -1.244732618876141e-10 1.501223135466301e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 4.8941998 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.841372497084037e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.5466115 2.0327866 1.3593091 ] [ 2.3249048 1.3616791 2.7447397 ] [ 0.5316406 4.3835595 1.2833242 ] [ 2.3008001 5.1653022 2.6216359 ] [ 3.4090996 3.2976786 3.5248362 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.466115000000001e-11 2.0327866e-10 1.3593091e-10 ] [ 2.3249048e-10 1.3616791e-10 2.7447397e-10 ] [ 5.316406e-11 4.3835595e-10 1.2833242e-10 ] [ 2.3008001e-10 5.1653022e-10 2.6216359e-10 ] [ 3.4090996e-10 3.2976786e-10 3.524836200000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.2e-06 1.1e-05 1.38e-05 ] [ -5.5e-06 -7.7e-06 -1.43e-05 ] [ -5e-07 -1.17e-05 -9.9e-06 ] [ -1.05e-05 2.05e-05 -5.2e-06 ] [ 1.43e-05 -1.22e-05 1.56e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.52478856576e-15 1.76239428288e-14 2.211003736704e-14 ] [ -8.8119714144e-15 -1.233675998016e-14 -2.291112567744e-14 ] [ -8.010883104e-16 -1.874546646336e-14 -1.586154854592e-14 ] [ -1.68228545184e-14 3.28446207264e-14 -8.33131842816e-15 ] [ 2.291112567744e-14 -1.954655477376e-14 2.499395528448e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.566682 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.853186748062819e-18 } }