{ "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" [ [ 1.662864 2.785445 0.9951273 ] [ 1.604551 1.254517 2.754062 ] [ 1.304297 2.979259 4.142484 ] [ 2.049326 4.702389 2.752286 ] [ 3.428978 2.585226 4.349041 ] [ 3.762165 3.432195 2.245626 ] [ 3.938407 4.831482 3.738967 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.662864e-10 2.785445e-10 9.951273000000001e-11 ] [ 1.604551e-10 1.254517e-10 2.754062e-10 ] [ 1.304297e-10 2.979259e-10 4.142484e-10 ] [ 2.049326e-10 4.702389e-10 2.752286e-10 ] [ 3.428978e-10 2.585226e-10 4.349041e-10 ] [ 3.762165e-10 3.432195e-10 2.245626e-10 ] [ 3.938407e-10 4.831482000000001e-10 3.738967e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5790592 0.2255347 -1.809042 ] [ 0.2724341 -2.7747773 -0.4602142 ] [ -5.9326333 1.218293 3.9601246 ] [ -14.4381723 8.3833661 -1.7285662 ] [ 2.2129877 -8.1404412 5.3269617 ] [ 9.2800368 -9.4930442 -12.3449343 ] [ 8.0262878 10.5810688 7.0556705 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.277551199427326e-10 3.613464264961997e-10 -2.898404822324628e-09 ] [ 4.364875493248194e-10 -4.445683354613608e-09 -7.373444378750027e-10 ] [ -9.505126451350312e-09 1.951920577965762e-09 6.344819101848596e-09 ] [ -2.313250229672603e-08 1.343163327968771e-08 -2.769468375962171e-09 ] [ 3.545597184269401e-09 -1.304242468109092e-08 8.534733565952918e-09 ] [ 1.486825812362013e-08 -1.520953360276922e-08 -1.977876528372514e-08 ] [ 1.285953077091926e-08 1.695274119410642e-08 1.13044304123031e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -7.8972817 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.26528402118558e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0863866 3.0682994 1.1528653 ] [ 1.2639571 1.203052 2.6204627 ] [ 1.2195283 2.9989414 4.4570434 ] [ 1.4603392 4.7883073 2.8422661 ] [ 3.5526637 2.2855085 4.3294981 ] [ 4.3033877 3.0330622 2.1280511 ] [ 3.8643254 5.1933421 3.4474066 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0863866e-10 3.0682994e-10 1.1528653e-10 ] [ 1.2639571e-10 1.203052e-10 2.6204627e-10 ] [ 1.2195283e-10 2.9989414e-10 4.4570434e-10 ] [ 1.4603392e-10 4.788307299999999e-10 2.8422661e-10 ] [ 3.5526637e-10 2.2855085e-10 4.329498100000001e-10 ] [ 4.3033877e-10 3.0330622e-10 2.1280511e-10 ] [ 3.8643254e-10 5.1933421e-10 3.4474066e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.7e-05 -2.61e-05 1.32e-05 ] [ 4.15e-05 -3.8e-06 -1.59e-05 ] [ -5.92e-05 8.62e-05 5.24e-05 ] [ 2.21e-05 -2.17e-05 8.9e-06 ] [ 1.59e-05 -5.99e-05 -7.2e-05 ] [ -2.19e-05 4.78e-05 3.66e-05 ] [ -1.54e-05 -2.26e-05 -2.31e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.723700277799999e-14 -4.18168101474e-14 2.11487315688e-14 ] [ 6.649033031099999e-14 -6.088271209199999e-15 -2.54746084806e-14 ] [ -9.48488567328e-14 1.381076258508e-13 8.395405562159998e-14 ] [ 3.54081036114e-14 -3.476723295779999e-14 1.42593720426e-14 ] [ 2.54746084806e-14 -9.597038037659999e-14 -1.15356717648e-13 ] [ -3.50876682846e-14 7.65840431052e-14 5.86396648044e-14 ] [ -2.46735201636e-14 -3.62091919284e-14 -3.70102802454e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.714404 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.998378080803613e-18 } }