{ "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" [ [ 1.662864 2.785445 0.9951273 ] [ 1.604551 1.254517 2.754062 ] [ 1.304297 2.979259 4.142484 ] [ 2.049326 4.702389 2.752286 ] [ 3.428978 2.585226 4.349041 ] [ 3.762165 3.432195 2.245626 ] [ 3.938407 4.831482 3.738967 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.662864e-10 2.785445e-10 9.951273000000001e-11 ] [ 1.604551e-10 1.254517e-10 2.754062e-10 ] [ 1.304297e-10 2.979259e-10 4.142484e-10 ] [ 2.049326e-10 4.702389e-10 2.752286e-10 ] [ 3.428978e-10 2.585226e-10 4.349041e-10 ] [ 3.762165e-10 3.432195e-10 2.245626e-10 ] [ 3.938407e-10 4.831482000000001e-10 3.738967e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.5236102 2.886812 -3.6920702 ] [ -0.6168166 -9.3851038 -2.2152889 ] [ -13.4097545 6.2284746 5.4838007 ] [ -31.9090874 11.4499645 -6.1548079 ] [ 9.7580904 -13.6777996 7.6059563 ] [ 15.0225798 -28.5334759 -26.994848 ] [ 21.6785985 31.0311282 25.967258 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.389160208524122e-10 4.62518269504489e-09 -5.915348556792379e-09 ] [ -9.882491358413454e-10 -1.503659389214124e-08 -3.549284083897749e-09 ] [ -2.148479515056759e-08 9.979116387366631e-09 8.786017274666675e-09 ] [ -5.112399382334386e-08 1.834486543088996e-08 -9.861089322895144e-09 ] [ 1.563418430253292e-08 -2.191425074310759e-08 1.218608536268647e-08 ] [ 2.406882613966234e-08 -4.571566799714024e-08 -4.325051434764964e-08 ] [ 3.473294368840994e-08 4.971734811908759e-08 4.160413367388177e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -5.3706748 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.604769602479716e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.8680703 2.777794 0.908598 ] [ 0.8331176 1.14437 2.5104729 ] [ 1.3073247 2.757798 4.3627342 ] [ 1.7714864 4.6366603 2.7305751 ] [ 3.8134959 2.7248574 4.5751095 ] [ 4.1346779 3.2696669 2.0288522 ] [ 4.0224152 5.2593664 3.8612513 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8680703e-10 2.777794e-10 9.085980000000001e-11 ] [ 8.331176e-11 1.14437e-10 2.5104729e-10 ] [ 1.3073247e-10 2.757798e-10 4.3627342e-10 ] [ 1.7714864e-10 4.6366603e-10 2.7305751e-10 ] [ 3.8134959e-10 2.7248574e-10 4.5751095e-10 ] [ 4.1346779e-10 3.2696669e-10 2.0288522e-10 ] [ 4.0224152e-10 5.259366400000001e-10 3.8612513e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.43e-05 1.19e-05 -1.8e-05 ] [ 1.21e-05 3.42e-05 4.5e-06 ] [ -9.4e-06 -1.54e-05 7.5e-06 ] [ -7.5e-06 -4.62e-05 -2.3e-06 ] [ -9.7e-06 -7.6e-06 3.69e-05 ] [ 1.35e-05 -1.29e-05 -3.32e-05 ] [ 1.52e-05 3.61e-05 4.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.291112567744e-14 1.906590178752e-14 -2.88391791744e-14 ] [ 1.938633711168e-14 5.479444043136e-14 7.2097947936e-15 ] [ -1.506046023552e-14 -2.467351996032e-14 1.2016324656e-14 ] [ -1.2016324656e-14 -7.402055988096e-14 -3.68500622784e-15 ] [ -1.554111322176e-14 -1.217654231808e-14 5.912031730752001e-14 ] [ 2.16293843808e-14 -2.066807840832e-14 -5.319226381056e-14 ] [ 2.435308463616e-14 5.783857601088001e-14 7.53023011776e-15 ] ] } "relaxed-potential-energy" { "source-value" -23.575207 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.77716454859205e-18 } }