{ "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" [ [ 0.8884438 2.916456 2.400624 ] [ 2.811423 1.824332 1.936915 ] [ 1.907829 2.277214 4.357236 ] [ 1.702277 4.831739 3.243262 ] [ 3.61245 3.93555 1.732923 ] [ 3.530316 5.918227 2.544774 ] [ 3.982422 3.894872 3.827608 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.884438000000001e-11 2.916456e-10 2.400624e-10 ] [ 2.811423e-10 1.824332e-10 1.936915e-10 ] [ 1.907829e-10 2.277214e-10 4.357236e-10 ] [ 1.702277e-10 4.831739e-10 3.243262e-10 ] [ 3.61245e-10 3.93555e-10 1.732923e-10 ] [ 3.530316e-10 5.918227e-10 2.544774e-10 ] [ 3.982422e-10 3.894872e-10 3.827608e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.0785729 -0.2864103 -1.4090772 ] [ 0.7641806 -2.4247226 0.2914841 ] [ 5.6520402 1.9360972 -0.4759379 ] [ -6.6464488 2.4106559 3.9842798 ] [ 3.7519828 -5.7873553 -11.7011733 ] [ 2.5598051 8.8099036 0.3109226 ] [ -2.002987 -4.6581684 8.9995018 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.534594200445619e-09 -4.588798903969302e-10 -2.257590565342144e-09 ] [ 1.2243523014761e-09 -3.884833893651728e-09 4.670090142025194e-10 ] [ 9.055566742868686e-09 3.101969694992824e-09 -7.625365826150286e-10 ] [ -1.064878496643734e-08 3.86229655559424e-09 6.383519998878192e-09 ] [ 6.011339173329894e-09 -9.27236543431606e-09 -1.874734645164467e-08 ] [ 4.101259918814034e-09 1.411502169571248e-08 4.981529247025284e-10 ] [ -3.209138969605758e-09 -7.463208567717165e-09 1.441879150160094e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -11.075778 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.774535271497125e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.625711 2.992313 2.7306712 ] [ 2.6229478 1.9315554 1.6606035 ] [ 2.3879954 1.9231463 4.1558893 ] [ 1.4035672 5.1605209 3.3912796 ] [ 4.3303123 3.6090058 1.7418705 ] [ 3.5072908 5.9036629 2.2793877 ] [ 3.5573364 4.0781858 4.0836403 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.25711e-11 2.992313e-10 2.7306712e-10 ] [ 2.6229478e-10 1.9315554e-10 1.6606035e-10 ] [ 2.3879954e-10 1.9231463e-10 4.155889300000001e-10 ] [ 1.4035672e-10 5.1605209e-10 3.3912796e-10 ] [ 4.3303123e-10 3.6090058e-10 1.7418705e-10 ] [ 3.5072908e-10 5.9036629e-10 2.2793877e-10 ] [ 3.5573364e-10 4.0781858e-10 4.0836403e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0281456 0.0214889 0.0985751 ] [ 0.0624486 -0.0401863 0.0235651 ] [ -0.0254268 -0.0031572 -0.1420759 ] [ -0.0714934 0.07654 -0.0146097 ] [ 0.0204985 0.0159775 0.0443217 ] [ -0.0196565 -0.0535449 -0.0206386 ] [ 0.0617751 -0.017118 0.0108623 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.509422266991039e-11 3.442901347036259e-11 1.579347219142134e-10 ] [ 1.000536877460124e-10 -6.43855508669142e-11 3.77554525978734e-11 ] [ -4.07382248373912e-11 -5.0583920688648e-12 -2.276306872345206e-10 ] [ -1.145450549652156e-10 1.2263059956636e-10 -2.34073199697498e-11 ] [ 3.284221773204899e-11 2.5598777169735e-11 7.101119211915778e-11 ] [ -3.1493185006221e-11 -8.578838764986659e-11 -3.306668267847239e-11 ] [ 9.897462178301339e-11 -2.7426059620812e-11 1.74033232514982e-11 ] ] } "relaxed-potential-energy" { "source-value" -17.379175 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.784450810319695e-18 } }