{ "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" [ [ 1.899847 1.906187 1.523281 ] [ 1.884769 1.70171 3.709853 ] [ 2.49478 3.91064 2.644859 ] [ 3.453021 0.2240813 2.013003 ] [ 4.505277 2.817941 2.046258 ] [ 4.372743 1.259433 3.808578 ] [ 3.775648 3.545824 4.38804 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.899847e-10 1.906187e-10 1.523281e-10 ] [ 1.884769e-10 1.70171e-10 3.709853e-10 ] [ 2.49478e-10 3.91064e-10 2.644859e-10 ] [ 3.453021e-10 2.240813e-11 2.013003e-10 ] [ 4.505277e-10 2.817941e-10 2.046258e-10 ] [ 4.372743e-10 1.259433e-10 3.808578e-10 ] [ 3.775648e-10 3.545824e-10 4.38804e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.0203117 -1.3634256 -4.4024816 ] [ -5.4333232 -2.4294002 5.520864 ] [ -2.167056 5.7362479 -1.9907502 ] [ 1.0215972 -4.3479318 -2.8781148 ] [ 5.4622911 1.7287047 -4.7374903 ] [ 2.5667492 -2.5533494 2.6276494 ] [ 1.5700534 3.2291543 5.8603235 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.839072793268704e-09 -2.184448620520213e-09 -7.053553093022178e-09 ] [ -8.705143404290244e-09 -3.892328203006844e-09 8.845399227416371e-09 ] [ -3.472006459164365e-09 9.190482276493097e-09 -3.189533428292924e-09 ] [ 1.636779149714742e-09 -6.966154678792861e-09 -4.611248244538468e-09 ] [ 8.751555096423916e-09 2.769690254607078e-09 -7.590296199926779e-09 ] [ 4.112385559697103e-09 -4.090916713413708e-09 4.209958436339148e-09 ] [ 2.515502850887551e-09 5.173675524415789e-09 9.389273302024829e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.0014061 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.442184240774651e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7396343 1.8027749 1.9694914 ] [ 1.3024485 1.8463551 4.2277986 ] [ 3.003264 3.8583432 2.3296793 ] [ 3.8558013 0.8100884 1.8807494 ] [ 4.7219899 2.8295424 1.198073 ] [ 4.5058449 1.1897203 4.0260271 ] [ 3.2571021 3.0289921 4.5020532 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7396343e-10 1.8027749e-10 1.9694914e-10 ] [ 1.3024485e-10 1.8463551e-10 4.2277986e-10 ] [ 3.003264e-10 3.8583432e-10 2.3296793e-10 ] [ 3.8558013e-10 8.100884e-11 1.8807494e-10 ] [ 4.721989899999999e-10 2.8295424e-10 1.198073e-10 ] [ 4.5058449e-10 1.1897203e-10 4.026027100000001e-10 ] [ 3.2571021e-10 3.0289921e-10 4.5020532e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.2e-05 5.7e-06 1.1e-06 ] [ -2.08e-05 -2.17e-05 2.38e-05 ] [ 1.81e-05 -2.21e-05 -9.6e-06 ] [ -1.32e-05 3.01e-05 1.2e-06 ] [ -8e-07 4.9e-06 -8.9e-06 ] [ -3.5e-06 -1.3e-05 6.1e-06 ] [ -1.9e-06 1.6e-05 -1.37e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.52478856576e-14 9.13240673856e-15 1.76239428288e-15 ] [ -3.332527371264e-14 -3.476723267136e-14 3.813180357504e-14 ] [ 2.899939683648e-14 -3.540810331968e-14 -1.538089555968e-14 ] [ -2.114873139456e-14 4.822551628608e-14 1.92261194496e-15 ] [ -1.28174129664e-15 7.850665441919999e-15 -1.425937192512e-14 ] [ -5.6076181728e-15 -2.08282960704e-14 9.77327738688e-15 ] [ -3.04413557952e-15 2.56348259328e-14 -2.194981970496e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.23956 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.281429012247885e-18 } }