{ "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" [ [ 2.476712 2.310837 1.57832 ] [ 2.970546 4.476183 1.171414 ] [ 2.629523 3.538885 3.808943 ] [ 5.406765 3.077785 1.539132 ] [ 4.254834 1.46676 3.134429 ] [ 4.456572 4.8029 2.877728 ] [ 4.871099 3.222036 4.56833 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.476712e-10 2.310837e-10 1.57832e-10 ] [ 2.970546e-10 4.476183e-10 1.171414e-10 ] [ 2.629523e-10 3.538885e-10 3.808943e-10 ] [ 5.406765000000001e-10 3.077785e-10 1.539132e-10 ] [ 4.254834e-10 1.46676e-10 3.134429e-10 ] [ 4.456572000000001e-10 4.8029e-10 2.877728e-10 ] [ 4.871099000000001e-10 3.222036e-10 4.56833e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.3823678 -7.1492465 0.8093634 ] [ -2.420278 6.3448981 -6.2394839 ] [ -9.0545501 -1.0009615 1.4857211 ] [ 2.0245041 -1.6805459 -2.01679 ] [ -0.1819158 -4.204124 -2.2031338 ] [ 5.6013319 9.2753936 -0.0282791 ] [ 6.4132757 -1.5854139 8.1926023 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.81697399130673e-09 -1.145435559863623e-08 1.296743117211199e-09 ] [ -3.877712827436583e-09 1.016564739717834e-08 -9.996755230438005e-09 ] [ -1.45069884820823e-08 -1.603717113620899e-09 2.380387611449259e-09 ] [ 3.243613137733746e-09 -2.692531351161295e-09 -3.231253787063232e-09 ] [ -2.914612417141286e-10 -6.73574918374418e-09 -3.529809466854263e-09 ] [ 8.974323015521244e-09 1.486081877463795e-08 -4.530811287726528e-11 ] [ 1.027520038928475e-08 -2.540113084871349e-09 1.312599586857231e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -18.922465 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.031713103090627e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1115413 2.3056395 1.6866179 ] [ 2.824047 4.5593715 0.8370685 ] [ 2.5174366 3.4486968 3.9945269 ] [ 5.8833181 3.0502993 1.6562763 ] [ 4.2678403 1.545653 2.8941739 ] [ 4.4522039 4.8342777 2.7693643 ] [ 5.0096637 3.1514482 4.8402682 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1115413e-10 2.3056395e-10 1.6866179e-10 ] [ 2.824047e-10 4.559371500000001e-10 8.370685e-11 ] [ 2.5174366e-10 3.4486968e-10 3.9945269e-10 ] [ 5.883318100000001e-10 3.0502993e-10 1.6562763e-10 ] [ 4.2678403e-10 1.545653e-10 2.8941739e-10 ] [ 4.4522039e-10 4.8342777e-10 2.7693643e-10 ] [ 5.0096637e-10 3.1514482e-10 4.8402682e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8.06e-05 4.6e-05 6.11e-05 ] [ 3.52e-05 3.02e-05 -4.79e-05 ] [ -6.69e-05 7.4e-06 6.19e-05 ] [ 7.22e-05 -2.01e-05 -1.78e-05 ] [ 0.0001207 -5.75e-05 -4.58e-05 ] [ -5.38e-05 1.7e-06 -4.44e-05 ] [ -2.68e-05 -7.8e-06 3.29e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.2913543563648e-13 7.37001245568e-14 9.789299153088e-14 ] [ 5.639661705216e-14 4.838573394816e-14 -7.674426013632e-14 ] [ -1.0718561593152e-13 1.185610699392e-14 9.917473282752e-14 ] [ 1.1567715202176e-13 -3.220375007808e-14 -2.851874385024e-14 ] [ 1.9338271813056e-13 -9.212515569600001e-14 -7.337968923264e-14 ] [ -8.619710219904001e-14 2.72370025536e-15 -7.113664196352e-14 ] [ -4.293833343744e-14 -1.249697764224e-14 5.271161082432e-14 ] ] } "relaxed-potential-energy" { "source-value" -23.202965 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.717524805624067e-18 } }