{ "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" [ [ 0.8884438 2.916456 2.400624 ] [ 2.811423 1.824332 1.936915 ] [ 1.907829 2.277214 4.357236 ] [ 1.702277 4.831739 3.243262 ] [ 3.61245 3.93555 1.732923 ] [ 3.530316 5.918227 2.544774 ] [ 3.982422 3.894872 3.827608 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.884438000000001e-11 2.916456e-10 2.400624e-10 ] [ 2.811423e-10 1.824332e-10 1.936915e-10 ] [ 1.907829e-10 2.277214e-10 4.357236e-10 ] [ 1.702277e-10 4.831739e-10 3.243262e-10 ] [ 3.61245e-10 3.93555e-10 1.732923e-10 ] [ 3.530316e-10 5.918227e-10 2.544774e-10 ] [ 3.982422e-10 3.894872e-10 3.827608e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5907739 1.9376319 -3.5769248 ] [ 2.0956775 -2.783019 -0.9321916 ] [ 3.1025812 2.381902 2.0815084 ] [ -4.4082231 0.3097286 3.2061291 ] [ -2.9346685 -4.7423882 -5.8951381 ] [ 1.652016 9.3198754 -1.616746 ] [ -0.098157 -6.4237306 6.7333631 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.46524130758837e-10 3.104428529896284e-09 -5.730865288919716e-09 ] [ 3.357645495236592e-09 -4.458887977042195e-09 -1.493535587626145e-09 ] [ 4.970883062773609e-09 3.816227697436762e-09 3.334944094478815e-09 ] [ -7.062751990090501e-09 4.962399217131149e-10 5.136785087286545e-09 ] [ -4.701857260498205e-09 -7.598143500797793e-09 -9.445052440207332e-09 ] [ 2.646821412387533e-09 1.493208647464905e-08 -2.590312642971917e-09 ] [ -1.572648505678656e-10 -1.029195098563756e-08 1.078803693817741e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -18.880882 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.025050772048355e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8538887 2.9500845 2.0385226 ] [ 2.9273581 1.4060388 2.0957074 ] [ 2.0706943 2.4536171 4.217526 ] [ 1.6723391 4.8253296 3.4520973 ] [ 3.1582601 3.8813768 1.5889857 ] [ 3.7283747 6.143453 2.6879331 ] [ 4.0242458 3.9384901 3.9625697 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.538887e-11 2.9500845e-10 2.0385226e-10 ] [ 2.9273581e-10 1.4060388e-10 2.0957074e-10 ] [ 2.0706943e-10 2.4536171e-10 4.217526000000001e-10 ] [ 1.6723391e-10 4.8253296e-10 3.4520973e-10 ] [ 3.1582601e-10 3.8813768e-10 1.5889857e-10 ] [ 3.7283747e-10 6.143453e-10 2.6879331e-10 ] [ 4.0242458e-10 3.9384901e-10 3.9625697e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.82e-05 -8.7e-06 -6.6e-06 ] [ 1.9e-05 6.82e-05 1.46e-05 ] [ -6.88e-05 -5.9e-05 5.27e-05 ] [ -1.05e-05 2.65e-05 3.52e-05 ] [ 3.4e-06 -2.59e-05 -0.0001021 ] [ 5e-07 1.5e-06 -3.6e-06 ] [ 3.82e-05 -2.7e-06 9.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.915961449856e-14 -1.393893660096e-14 -1.057436569728e-14 ] [ 3.04413557952e-14 1.0926844553856e-13 2.339177866368e-14 ] [ -1.1022975151104e-13 -9.45284206272e-14 8.443470791616e-14 ] [ -1.68228545184e-14 4.24576804512e-14 5.639661705216e-14 ] [ 5.44740051072e-15 -4.149637447872e-14 -1.6358223298368e-13 ] [ 8.010883104e-16 2.4032649312e-15 -5.76783583488e-15 ] [ 6.120314691456e-14 -4.32587687616e-15 1.554111322176e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.711622 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.959238303044694e-18 } }