{ "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" [ [ 1.239329 2.983674 3.512225 ] [ 2.999663 5.449943 1.062375 ] [ 1.178907 3.936124 1.554887 ] [ 2.122325 5.087093 3.38156 ] [ 3.136296 3.082629 1.288456 ] [ 5.117946 4.70791 1.219676 ] [ 3.839933 3.58316 3.463374 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.239329e-10 2.983674e-10 3.512225e-10 ] [ 2.999663e-10 5.449943e-10 1.062375e-10 ] [ 1.178907e-10 3.936124e-10 1.554887e-10 ] [ 2.122325e-10 5.087093000000001e-10 3.38156e-10 ] [ 3.136296e-10 3.082629e-10 1.288456e-10 ] [ 5.117946e-10 4.70791e-10 1.219676e-10 ] [ 3.839933e-10 3.58316e-10 3.463374e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.7043129 -1.2874195 1.4954533 ] [ -1.0686529 0.5493047 0.5299838 ] [ -2.7100298 1.630957 -2.1066629 ] [ 0.4484052 1.5824944 0.0758946 ] [ 2.6900426 -1.4501422 -0.1480673 ] [ -0.0647738 -0.756955 0.6142509 ] [ 0.0006959 -0.2682393 -0.4608525 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.128433662107848e-09 -2.062673424062026e-09 2.395980314758209e-09 ] [ -1.71217069213012e-09 8.800831480355577e-10 8.491276537627431e-10 ] [ -4.3419463872313e-09 2.613081174930106e-09 -3.375246046286728e-09 ] [ 7.184243280851482e-10 2.535435530226924e-09 1.215965537649677e-10 ] [ 4.309923362676046e-09 -2.323383929675477e-09 -2.372299663649799e-10 ] [ -1.037790680003751e-10 -1.212775603997664e-09 9.841384312853588e-10 ] [ 1.11495471041472e-12 -4.297667352397575e-10 -7.38367101137232e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -8.053822085572456 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.290364545358689e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7207003 2.9271246 3.3098589 ] [ 2.7569084 5.3533859 0.7037802 ] [ 0.9729507 4.1885379 1.5484546 ] [ 2.5200599 5.2086987 3.1133597 ] [ 3.0897682 3.0285974 1.3102234 ] [ 4.6072167 4.8118329 1.9431019 ] [ 3.9667948 3.3123556 3.5537742 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7207003e-10 2.9271246e-10 3.3098589e-10 ] [ 2.7569084e-10 5.353385900000001e-10 7.037802e-11 ] [ 9.729507e-11 4.1885379e-10 1.5484546e-10 ] [ 2.5200599e-10 5.2086987e-10 3.1133597e-10 ] [ 3.0897682e-10 3.028597400000001e-10 1.3102234e-10 ] [ 4.6072167e-10 4.8118329e-10 1.9431019e-10 ] [ 3.9667948e-10 3.3123556e-10 3.5537742e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.32e-05 -1.2e-06 -1.6e-05 ] [ -1.29e-05 -2.86e-05 -2.39e-05 ] [ 1.43e-05 2.93e-05 5e-06 ] [ -3.1e-06 8.5e-06 1.3e-06 ] [ -3.8e-06 -6.4e-06 3.57e-05 ] [ -1.09e-05 2.66e-05 2.45e-05 ] [ 3.3e-06 -2.82e-05 -2.66e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.114873139456e-14 -1.92261194496e-15 -2.56348259328e-14 ] [ -2.066807840832e-14 -4.582225135488e-14 -3.829202123712e-14 ] [ 2.291112567744e-14 4.694377498944e-14 8.010883104e-15 ] [ -4.96674752448e-15 1.36185012768e-14 2.08282960704e-15 ] [ -6.08827115904e-15 -1.025393037312e-14 5.719770536256001e-14 ] [ -1.746372516672e-14 4.261789811328e-14 3.92533272096e-14 ] [ 5.28718284864e-15 -4.518138070656001e-14 -4.261789811328e-14 ] ] } "relaxed-potential-energy" { "source-value" -9.821491085572458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.573576339869981e-18 } }