{ "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" [ [ 2.61879 2.030613 1.31449 ] [ 0.5326459 2.599792 1.87087 ] [ 1.791863 1.569063 3.307142 ] [ 2.645053 4.244738 2.416375 ] [ 4.072939 1.030921 3.139936 ] [ 4.500349 3.153395 1.645552 ] [ 3.28786 3.426147 4.164789 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.61879e-10 2.030613e-10 1.31449e-10 ] [ 5.326459000000001e-11 2.599792e-10 1.87087e-10 ] [ 1.791863e-10 1.569063e-10 3.307142e-10 ] [ 2.645053e-10 4.244738e-10 2.416375e-10 ] [ 4.072939e-10 1.030921e-10 3.139936e-10 ] [ 4.500349e-10 3.153395e-10 1.645552e-10 ] [ 3.28786e-10 3.426147e-10 4.164789e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5448777 -7.391989 -17.2489139 ] [ -9.6975785 3.3962222 -2.7899775 ] [ -5.7795697 -9.8147765 12.3146221 ] [ -2.4935844 15.3973021 -3.4437391 ] [ 6.1471641 -5.5664645 2.8823656 ] [ 9.5787603 2.148463 -4.7041135 ] [ 1.6999305 1.8312427 12.9897564 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.729903121352763e-10 -1.184327195701077e-08 -2.763580658477215e-08 ] [ -1.553723355107273e-08 5.441347807881942e-09 -4.470036723058032e-09 ] [ -9.259891451624069e-09 -1.572500544667725e-08 1.9730199622607e-08 ] [ -3.995162627671596e-09 2.466919744801474e-08 -5.517478274154834e-09 ] [ 9.848842605241075e-09 -8.918459282413162e-09 4.618058776918165e-09 ] [ 1.53468658089072e-08 3.442217189253831e-09 -7.536820671289662e-09 ] [ 2.723588904084855e-09 2.933974240950668e-09 2.081188401396717e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -6.4569732 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.034521150217216e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7314714 1.5304204 0.7074236 ] [ 1.0275419 2.7510174 1.8691669 ] [ 1.5027986 1.4906115 3.8511801 ] [ 2.623268 4.4594646 2.514463 ] [ 4.0128197 1.2504937 3.0168751 ] [ 4.3901203 3.3062564 1.3781402 ] [ 3.16148 3.2664049 4.5219051 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7314714e-10 1.5304204e-10 7.074236000000001e-11 ] [ 1.0275419e-10 2.7510174e-10 1.8691669e-10 ] [ 1.5027986e-10 1.4906115e-10 3.8511801e-10 ] [ 2.623268e-10 4.4594646e-10 2.514463e-10 ] [ 4.0128197e-10 1.2504937e-10 3.0168751e-10 ] [ 4.390120300000001e-10 3.3062564e-10 1.3781402e-10 ] [ 3.16148e-10 3.2664049e-10 4.5219051e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.92e-05 6.45e-05 2.63e-05 ] [ -7.4e-06 -9.8e-06 -1.21e-05 ] [ -7.8e-06 9.3e-06 1.79e-05 ] [ 3.4e-05 -2.95e-05 3e-06 ] [ 3.65e-05 -2.29e-05 -2.15e-05 ] [ -5.55e-05 -3.44e-05 0.0 ] [ -2.89e-05 2.29e-05 -1.36e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.678355732736e-14 1.033403920416e-13 4.213724512704e-14 ] [ -1.185610699392e-14 -1.570133088384e-14 -1.938633711168e-14 ] [ -1.249697764224e-14 1.490024257344e-14 2.867896151232001e-14 ] [ 5.44740051072e-14 -4.72642103136e-14 4.8065298624e-15 ] [ 5.84794466592e-14 -3.668984461632e-14 -3.44467973472e-14 ] [ -8.892080245440001e-14 -5.511487575552001e-14 0.0 ] [ -4.630290434112001e-14 3.668984461632e-14 -2.178960204288e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.968507 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.039089844688114e-18 } }