{ "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" [ [ 2.327038 2.33879 1.333944 ] [ 3.095823 1.457233 3.921802 ] [ 1.16952 4.791902 2.053879 ] [ 1.997895 3.950607 4.032131 ] [ 4.742513 1.791132 2.167365 ] [ 3.563011 4.139404 2.001972 ] [ 4.473125 3.165685 4.251983 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.327038e-10 2.33879e-10 1.333944e-10 ] [ 3.095823e-10 1.457233e-10 3.921802e-10 ] [ 1.16952e-10 4.791902e-10 2.053879e-10 ] [ 1.997895e-10 3.950607e-10 4.032131e-10 ] [ 4.742513e-10 1.791132e-10 2.167365e-10 ] [ 3.563011e-10 4.139404e-10 2.001972e-10 ] [ 4.473124999999999e-10 3.165685e-10 4.251983e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.1884958 -4.7351663 -4.2067333 ] [ -5.2869896 -7.527023 1.7424926 ] [ -3.6132139 3.640973 -3.7050562 ] [ -1.0169844 0.4504201 7.4106411 ] [ 3.9788482 -3.7391962 -4.3422732 ] [ 3.3397122 4.8649223 -1.2454442 ] [ 4.7871233 7.0450701 4.3463732 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.506356805478993e-09 -7.586572741460039e-09 -6.739929743200832e-09 ] [ -8.470691131532743e-09 -1.205962027482388e-08 2.791780905637006e-09 ] [ -5.789006836529589e-09 5.833481817564039e-09 -5.936154422390089e-09 ] [ -1.629388629398315e-09 7.216525537583981e-10 1.18731559155596e-08 ] [ 6.374817563752162e-09 -5.990852732224201e-09 -6.957088602166403e-09 ] [ 5.350808807040534e-09 7.794464771068563e-09 -1.995421579750959e-09 ] [ 7.669817032146945e-09 1.128744660611712e-08 6.963657526311683e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.671265 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.869942791816131e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.3897594 2.4067532 0.4278274 ] [ 4.0362573 1.2636846 4.2427044 ] [ 1.086092 5.0558744 2.3592823 ] [ 1.5058268 4.3130602 4.8375685 ] [ 4.0635889 0.4263926 1.853723 ] [ 3.4483473 4.4300468 1.8677279 ] [ 3.8390532 3.7389412 4.1742426 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.3897594e-10 2.4067532e-10 4.278274e-11 ] [ 4.0362573e-10 1.2636846e-10 4.2427044e-10 ] [ 1.086092e-10 5.055874400000001e-10 2.3592823e-10 ] [ 1.5058268e-10 4.3130602e-10 4.8375685e-10 ] [ 4.0635889e-10 4.263926e-11 1.853723e-10 ] [ 3.4483473e-10 4.4300468e-10 1.8677279e-10 ] [ 3.8390532e-10 3.7389412e-10 4.1742426e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.79e-05 -4.7e-06 1.91e-05 ] [ 2.13e-05 1.23e-05 4.52e-05 ] [ -3.41e-05 -1.27e-05 -4.8e-06 ] [ 9e-07 2.13e-05 4.33e-05 ] [ -3.45e-05 -1.04e-05 -3.11e-05 ] [ 2.65e-05 3.99e-05 5.5e-06 ] [ -2.8e-05 -4.56e-05 -7.72e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.674426013632e-14 -7.53023011776e-15 3.060157345728e-14 ] [ 3.412636202304e-14 1.970677243584e-14 7.241838326016e-14 ] [ -5.463422276928e-14 -2.034764308416e-14 -7.69044777984e-15 ] [ 1.44195895872e-15 3.412636202304e-14 6.937424768064e-14 ] [ -5.52750934176e-14 -1.666263685632e-14 -4.982769290688e-14 ] [ 4.24576804512e-14 6.392684716992e-14 8.8119714144e-15 ] [ -4.48609453824e-14 -7.305925390848e-14 -1.2368803512576e-13 ] ] } "relaxed-potential-energy" { "source-value" -20.341484 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.259065009717727e-18 } }