{ "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" [ [ -3.816974022753985e-09 -1.145435569300628e-08 1.296743127894795e-09 ] [ -3.877712859384252e-09 1.0165647480931e-08 -9.99675531279919e-09 ] [ -1.450698860160236e-08 -1.603717126833591e-09 2.380387631060777e-09 ] [ 3.243613164457199e-09 -2.6925313733445e-09 -3.231253813684859e-09 ] [ -2.914612441154171e-10 -6.735749239238615e-09 -3.529809495935628e-09 ] [ 8.974323089458824e-09 1.486081889707314e-08 -4.53081132505494e-11 ] [ 1.027520047393999e-08 -2.540113105798812e-09 1.312599597671466e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -18.922465 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.031713128068281e-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" [ [ -1.291354367004e-13 7.370012516399999e-14 9.789299233739998e-14 ] [ 5.63966175168e-14 4.838573434679999e-14 -7.674426076859999e-14 ] [ -1.071856168146e-13 1.18561070916e-14 9.917473364459999e-14 ] [ 1.156771529748e-13 -3.22037503434e-14 -2.851874408519999e-14 ] [ 1.933827197238e-13 -9.212515645499998e-14 -7.33796898372e-14 ] [ -8.619710290919999e-14 2.7237002778e-15 -7.11366425496e-14 ] [ -4.293833379119999e-14 -1.24969777452e-14 5.271161125859999e-14 ] ] } "relaxed-potential-energy" { "source-value" -23.202965 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.717524836251981e-18 } }