{ "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" [ [ 1.570546 2.153895 2.543093 ] [ 2.524346 2.661693 4.212043 ] [ 2.241813 4.238266 2.673997 ] [ 3.729345 1.325386 1.859362 ] [ 4.629957 2.667135 3.458757 ] [ 3.970969 3.734581 1.387215 ] [ 4.050613 4.976756 3.428708 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.570546e-10 2.153895e-10 2.543093e-10 ] [ 2.524346e-10 2.661693e-10 4.212043000000001e-10 ] [ 2.241813e-10 4.238266e-10 2.673997e-10 ] [ 3.729345e-10 1.325386e-10 1.859362e-10 ] [ 4.629957e-10 2.667135e-10 3.458757e-10 ] [ 3.970969e-10 3.734581e-10 1.387215e-10 ] [ 4.050613e-10 4.976756e-10 3.428708e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.967637 -5.8663633 -7.5874925 ] [ -0.1238435 0.2883086 14.052814 ] [ -12.0993532 7.325401 -4.0685766 ] [ 0.2907117 -2.4478175 -4.367478 ] [ 8.282595 -3.043202 2.9575867 ] [ 2.5032019 -0.7815005 -3.4067763 ] [ 6.114325 4.5251737 2.4199227 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.959031927593857e-09 -9.398950205815132e-09 -1.215650319415024e-08 ] [ -1.98419161972779e-10 4.619213023012524e-10 2.251509023274807e-08 ] [ -1.938530098355313e-08 1.173658631688023e-08 -6.518578362159164e-09 ] [ 4.657714929704177e-10 -3.921836002796295e-09 -6.997471201109051e-09 ] [ 1.327018017788523e-08 -4.875747136942068e-09 4.738576303769167e-09 ] [ 4.010571594364405e-09 -1.252101840559317e-09 -5.458257385124974e-09 ] [ 9.79622864768205e-09 7.250127566931325e-09 3.877143606026191e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.512772 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.805855409496944e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.576186 1.9043714 2.4864098 ] [ 2.4449904 2.7889954 4.5232103 ] [ 2.0149889 4.315316 2.6332573 ] [ 3.7049438 1.4040214 1.6395744 ] [ 4.6464382 2.5972381 3.5473124 ] [ 4.0906129 3.7593581 1.3220863 ] [ 4.2394289 4.9884116 3.4113246 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.576186e-10 1.9043714e-10 2.4864098e-10 ] [ 2.4449904e-10 2.7889954e-10 4.5232103e-10 ] [ 2.0149889e-10 4.315316000000001e-10 2.6332573e-10 ] [ 3.7049438e-10 1.4040214e-10 1.6395744e-10 ] [ 4.646438200000001e-10 2.5972381e-10 3.5473124e-10 ] [ 4.0906129e-10 3.7593581e-10 1.3220863e-10 ] [ 4.2394289e-10 4.9884116e-10 3.4113246e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.1e-05 -3.4e-06 2.3e-05 ] [ 3e-06 1.47e-05 -3.4e-06 ] [ 3.79e-05 -1.05e-05 -1.95e-05 ] [ 2.15e-05 -5.1e-06 -1.53e-05 ] [ -1.11e-05 -4e-07 -2.4e-06 ] [ -1.98e-05 1.28e-05 2e-07 ] [ -1.05e-05 -8.1e-06 1.73e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.364570931399999e-14 -5.4474005556e-15 3.6850062582e-14 ] [ 4.806529901999999e-15 2.35519965198e-14 -5.4474005556e-15 ] [ 6.072249442859999e-14 -1.6822854657e-14 -3.1242444363e-14 ] [ 3.4446797631e-14 -8.1711008334e-15 -2.45133025002e-14 ] [ -1.77841606374e-14 -6.408706536e-16 -3.845223921599999e-15 ] [ -3.17230973532e-14 2.05078609152e-14 3.204353268e-16 ] [ -1.6822854657e-14 -1.29776307354e-14 2.77176557682e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.055691 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.533711276692409e-18 } }