{ "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" [ [ 2.1688 2.788884 1.320769 ] [ 2.532136 2.630615 3.81334 ] [ 3.448306 1.022917 2.319133 ] [ 4.871015 2.854538 3.444822 ] [ 3.148673 5.011898 0.914954 ] [ 4.462028 3.106005 1.382629 ] [ 3.536809 5.003724 3.350012 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1688e-10 2.788884e-10 1.320769e-10 ] [ 2.532136e-10 2.630615e-10 3.813340000000001e-10 ] [ 3.448306e-10 1.022917e-10 2.319133e-10 ] [ 4.871015e-10 2.854538e-10 3.444822e-10 ] [ 3.148673e-10 5.011898e-10 9.149540000000001e-11 ] [ 4.462028e-10 3.106005e-10 1.382629e-10 ] [ 3.536809e-10 5.003724e-10 3.350012e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.7852576 -0.8415584 -2.6587905 ] [ -4.0006653 0.9698291 4.6136733 ] [ -0.7491722 -10.716183 -1.7960803 ] [ 5.208077 4.1810298 9.4343894 ] [ -0.3498994 4.6777341 -0.3187932 ] [ 7.7750084 -1.20989 -12.0035149 ] [ -0.0980909 2.9390384 2.7291162 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.247335771362552e-08 -1.348325193517855e-09 -4.259851978705142e-09 ] [ -6.409772411305818e-09 1.553837510191505e-09 7.391919497269186e-09 ] [ -1.200306183793302e-09 -1.716921786681441e-08 -2.877637865739451e-09 ] [ 8.344259208726203e-09 6.6987481964281e-09 1.511555812820334e-08 ] [ -5.606006383119476e-10 7.49455621333893e-09 -5.107630119100185e-10 ] [ 1.245693668500361e-08 -1.938457471739712e-09 -1.923175094020445e-08 ] [ -1.571589466932307e-10 4.708858612113439e-09 4.372526171086537e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.826357 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.734573607383443e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.2523377 3.3507417 1.8724959 ] [ 2.5606349 1.978533 3.4915395 ] [ 3.7508524 0.6235272 1.7181126 ] [ 4.530801 3.4224918 3.825658 ] [ 3.2864986 4.4979907 0.9996176 ] [ 5.0106218 2.8053713 1.4902078 ] [ 3.7760205 5.7399252 3.1480276 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2523377e-10 3.3507417e-10 1.8724959e-10 ] [ 2.5606349e-10 1.978533e-10 3.4915395e-10 ] [ 3.7508524e-10 6.235272e-11 1.7181126e-10 ] [ 4.530801e-10 3.4224918e-10 3.825658e-10 ] [ 3.2864986e-10 4.4979907e-10 9.996176e-11 ] [ 5.0106218e-10 2.8053713e-10 1.4902078e-10 ] [ 3.7760205e-10 5.739925200000001e-10 3.1480276e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.12e-05 1.55e-05 -8.9e-06 ] [ -2.01e-05 -2.32e-05 -1.28e-05 ] [ 1.83e-05 2.41e-05 1.08e-05 ] [ 1.36e-05 2.38e-05 -5.4e-06 ] [ 2.1e-05 -4.02e-05 4.12e-05 ] [ -4.7e-06 -1.05e-05 -2.81e-05 ] [ 3.3e-06 1.06e-05 3.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.998791056896e-14 2.48337376224e-14 -1.425937192512e-14 ] [ -3.220375007808e-14 -3.717049760256e-14 -2.050786074624e-14 ] [ 2.931983216064e-14 3.861245656128e-14 1.730350750464e-14 ] [ 2.178960204288e-14 3.813180357504e-14 -8.65175375232e-15 ] [ 3.36457090368e-14 -6.440750015616e-14 6.600967677696001e-14 ] [ -7.53023011776e-15 -1.68228545184e-14 -4.502116304448e-14 ] [ 5.28718284864e-15 1.698307218048e-14 4.96674752448e-15 ] ] } "relaxed-potential-energy" { "source-value" -20.813779 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.334735010429801e-18 } }