{ "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" [ [ 1.971858 1.613185 3.540739 ] [ 1.980532 3.696797 1.101352 ] [ 1.421419 3.841396 3.166588 ] [ 2.933735 5.314328 3.389927 ] [ 3.610376 2.128489 1.767833 ] [ 4.452161 4.502678 1.60274 ] [ 4.038762 3.260824 3.402783 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.971858e-10 1.613185e-10 3.540739e-10 ] [ 1.980532e-10 3.696797e-10 1.101352e-10 ] [ 1.421419e-10 3.841396e-10 3.166588e-10 ] [ 2.933735e-10 5.314328e-10 3.389927e-10 ] [ 3.610376e-10 2.128489e-10 1.767833e-10 ] [ 4.452161e-10 4.502678000000001e-10 1.60274e-10 ] [ 4.038762e-10 3.260824e-10 3.402783e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.3295443 -2.5976323 2.3707353 ] [ -0.0629225 1.8556856 -4.0261418 ] [ -4.9249592 0.2039519 2.362994 ] [ -2.9718637 9.1897342 4.1758055 ] [ 1.7319037 -7.7897823 -4.6587218 ] [ 3.8282413 4.3450142 -7.6027172 ] [ 3.7291447 -5.2069713 7.3780459 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.130164793777901e-09 -4.161865740494932e-09 3.798336671765275e-09 ] [ -1.00812958422288e-10 2.973136083875221e-09 -6.450590263985631e-09 ] [ -7.890654488633872e-09 3.267669659477395e-10 3.785933741890676e-09 ] [ -4.761450540344185e-09 1.472357728660619e-08 6.690377945108055e-09 ] [ 2.774815617617017e-09 -1.248060708218165e-08 -7.464095150771294e-09 ] [ 6.133518709640999e-09 6.961480168284015e-09 -1.218089575239404e-08 ] [ 5.97474845392023e-09 -8.342487682036583e-09 1.18209326481693e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -20.850781 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.340663384362085e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0249379 1.4643397 3.270167 ] [ 1.9849391 3.6950295 1.1192927 ] [ 1.3640026 3.8679422 3.4943733 ] [ 3.0602604 5.6897336 3.2332044 ] [ 3.781913 1.9638746 1.5730811 ] [ 4.3804589 4.4066665 1.5517098 ] [ 3.812331 3.2701109 3.7301337 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0249379e-10 1.4643397e-10 3.270167e-10 ] [ 1.9849391e-10 3.6950295e-10 1.1192927e-10 ] [ 1.3640026e-10 3.8679422e-10 3.4943733e-10 ] [ 3.0602604e-10 5.6897336e-10 3.2332044e-10 ] [ 3.781913e-10 1.9638746e-10 1.5730811e-10 ] [ 4.3804589e-10 4.4066665e-10 1.5517098e-10 ] [ 3.812331e-10 3.2701109e-10 3.7301337e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.78e-05 5.21e-05 -2.6e-06 ] [ -5.03e-05 3.8e-06 1.3e-06 ] [ 7.3e-06 9e-06 -2.31e-05 ] [ -2.1e-05 -1.42e-05 -1.33e-05 ] [ 6.2e-06 -1.1e-06 1.62e-05 ] [ 1.33e-05 9e-07 2.92e-05 ] [ 1.66e-05 -5.05e-05 -7.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.454051005824e-14 8.347340194367999e-14 -4.16565921408e-15 ] [ -8.058948402624e-14 6.08827115904e-15 2.08282960704e-15 ] [ 1.169588933184e-14 1.44195895872e-14 -3.701027994048e-14 ] [ -3.36457090368e-14 -2.275090801536e-14 -2.130894905664e-14 ] [ 9.93349504896e-15 -1.76239428288e-15 2.595526125696e-14 ] [ 2.130894905664e-14 1.44195895872e-15 4.678355732736e-14 ] [ 2.659613190528e-14 -8.090991935040001e-14 -1.265719530432e-14 ] ] } "relaxed-potential-energy" { "source-value" -25.960863 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.159388775439175e-18 } }