{ "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" [ [ -1.247335781639091e-08 -1.348325204626426e-09 -4.259852013801177e-09 ] [ -6.409772464114599e-09 1.553837522993249e-09 7.391919558169672e-09 ] [ -1.200306193682375e-09 -1.716921800826802e-08 -2.87763788944771e-09 ] [ 8.344259277472818e-09 6.698748251617692e-09 1.511555825273728e-08 ] [ -5.606006429306195e-10 7.494556275085018e-09 -5.107630161180888e-10 ] [ 1.245693678763372e-08 -1.93845748771026e-09 -1.923175109865085e-08 ] [ -1.571589479880306e-10 4.708858650908745e-09 4.372526207110871e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.826357 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.734573621674234e-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" [ [ -4.998791098079999e-14 2.4833737827e-14 -1.42593720426e-14 ] [ -3.22037503434e-14 -3.71704979088e-14 -2.05078609152e-14 ] [ 2.93198324022e-14 3.86124568794e-14 1.73035076472e-14 ] [ 2.17896022224e-14 3.81318038892e-14 -8.6517538236e-15 ] [ 3.364570931399999e-14 -6.44075006868e-14 6.600967732079998e-14 ] [ -7.530230179799999e-15 -1.6822854657e-14 -4.50211634154e-14 ] [ 5.2871828922e-15 1.69830723204e-14 4.9667475654e-15 ] ] } "relaxed-potential-energy" { "source-value" -20.813779 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.334735037903988e-18 } }