{ "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" [ [ 2.176849 1.681974 3.211274 ] [ 2.864727 5.809081 2.248654 ] [ 2.905691 3.612446 1.71083 ] [ 4.50356 2.090932 1.710731 ] [ 5.648677 2.904188 3.876429 ] [ 4.83518 4.522991 2.188517 ] [ 3.438619 4.083879 4.381538 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.176849e-10 1.681974e-10 3.211274e-10 ] [ 2.864727e-10 5.809081e-10 2.248654e-10 ] [ 2.905691e-10 3.612446e-10 1.71083e-10 ] [ 4.503560000000001e-10 2.090932e-10 1.710731e-10 ] [ 5.648677e-10 2.904188e-10 3.876429e-10 ] [ 4.835180000000001e-10 4.522991000000001e-10 2.188517e-10 ] [ 3.438619e-10 4.083879e-10 4.381538e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.7344232 1.0961024 -0.3579507 ] [ 0.1116023 0.1658055 0.7727064 ] [ -4.6777784 -1.1582153 -0.9457584 ] [ 1.2974868 -1.4664321 0.9517177 ] [ -1.3858439 0.6776052 -0.5872495 ] [ 3.3331275 1.4832848 0.782374 ] [ 0.5869826 -0.7981504 -0.6158395 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.176675680813123e-09 1.75614963928277e-09 -5.735002429389945e-10 ] [ 1.788065958875078e-10 2.656496957000544e-10 1.238012128822533e-09 ] [ -7.494627189763232e-09 -1.855665475512858e-09 -1.515271997405215e-09 ] [ 2.078803016756605e-09 -2.349483226610648e-09 1.524819848541548e-09 ] [ -2.220366696658293e-09 1.085643209572508e-09 -9.408774194764896e-10 ] [ 5.340258954645551e-09 2.376484228548004e-09 1.253501331521779e-09 ] [ 9.404497985363981e-10 -1.278777910762168e-09 -9.866836490651615e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -5.867471158928929 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.400725114054211e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.4189287 2.2125206 3.1639306 ] [ 2.7996357 5.5067566 2.6416454 ] [ 2.7020609 3.5655015 1.2209069 ] [ 4.4759985 1.9809773 1.9803184 ] [ 5.611626 2.9950524 3.8453756 ] [ 4.8680844 4.459394 2.1310278 ] [ 3.4969689 3.9852885 4.3447683 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4189287e-10 2.2125206e-10 3.1639306e-10 ] [ 2.7996357e-10 5.5067566e-10 2.6416454e-10 ] [ 2.7020609e-10 3.5655015e-10 1.2209069e-10 ] [ 4.4759985e-10 1.9809773e-10 1.9803184e-10 ] [ 5.611626000000001e-10 2.9950524e-10 3.8453756e-10 ] [ 4.8680844e-10 4.459394e-10 2.1310278e-10 ] [ 3.4969689e-10 3.9852885e-10 4.3447683e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.32e-05 -4.47e-05 2.33e-05 ] [ 5.6e-06 -4.07e-05 -1.5e-05 ] [ 1.4e-05 6.77e-05 1.91e-05 ] [ 1.3e-06 -2.48e-05 -1.68e-05 ] [ 4.42e-05 -3.84e-05 3.96e-05 ] [ -2.13e-05 3.81e-05 -3.87e-05 ] [ -3.07e-05 4.28e-05 -1.14e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.114873139456e-14 -7.161729494976001e-14 3.733071526464e-14 ] [ 8.972189076479999e-15 -6.520858846656e-14 -2.4032649312e-14 ] [ 2.24304726912e-14 1.0846735722816e-13 3.060157345728e-14 ] [ 2.08282960704e-15 -3.973398019584e-14 -2.691656722944e-14 ] [ 7.081620663936001e-14 -6.152358223872e-14 6.344619418368e-14 ] [ -3.412636202304e-14 6.104292925248e-14 -6.200423522496e-14 ] [ -4.918682225856e-14 6.857315937023999e-14 -1.826481347712e-14 ] ] } "relaxed-potential-energy" { "source-value" -8.097630158928926 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.297383372452091e-18 } }