{ "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" [ [ 2.872342 2.592209 3.748836 ] [ 1.410068 4.838391 2.869154 ] [ 2.889421 3.430048 1.520903 ] [ 4.604684 2.417867 2.466033 ] [ 4.898299 2.012755 4.844446 ] [ 5.379024 4.52793 1.309626 ] [ 5.720081 4.239448 3.464417 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.872342e-10 2.592209e-10 3.748836e-10 ] [ 1.410068e-10 4.838391e-10 2.869154e-10 ] [ 2.889421e-10 3.430048e-10 1.520903e-10 ] [ 4.604684e-10 2.417867e-10 2.466033e-10 ] [ 4.898299e-10 2.012755e-10 4.844446e-10 ] [ 5.379024e-10 4.52793e-10 1.309626e-10 ] [ 5.720081000000001e-10 4.239448000000001e-10 3.464417e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.2691406 0.6636388 0.8610493 ] [ 1.1772282 -1.2586512 -0.0024581 ] [ -0.4815044 1.45794 -0.3249264 ] [ 2.6148383 -0.6456609 -0.5906337 ] [ 0.1186275 1.095807 -0.7889799 ] [ -1.3482768 -0.5534094 -0.7698041 ] [ 0.1882278 -0.7596642 1.615753 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.63556404858074e-09 1.063266578775799e-09 1.379553069182056e-09 ] [ 1.886127514925879e-09 -2.016581542996061e-09 -3.9383103840354e-12 ] [ -7.714550988481895e-10 2.33587740177396e-09 -5.205894858497376e-10 ] [ 4.189432825948282e-09 -1.03446280746741e-09 -9.462995133929659e-10 ] [ 1.90062208649835e-10 1.755676370773638e-09 -1.264085160475656e-09 ] [ -2.160177585124291e-09 -8.866596097159597e-10 -1.233362141777399e-09 ] [ 3.015741830292252e-10 -1.217116230926303e-09 2.588721702915402e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.546503 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.97147737490109e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6171806 2.4542081 3.5803778 ] [ 1.5855957 4.5000467 3.1033389 ] [ 2.9431867 3.6219027 1.4113026 ] [ 4.7146114 2.3327576 2.4068848 ] [ 4.6264519 2.7061361 4.7870127 ] [ 5.1285792 4.5047646 1.4460154 ] [ 6.1583136 3.9388322 3.4884828 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6171806e-10 2.4542081e-10 3.5803778e-10 ] [ 1.5855957e-10 4.500046700000001e-10 3.1033389e-10 ] [ 2.9431867e-10 3.6219027e-10 1.4113026e-10 ] [ 4.714611400000001e-10 2.3327576e-10 2.4068848e-10 ] [ 4.6264519e-10 2.7061361e-10 4.7870127e-10 ] [ 5.1285792e-10 4.5047646e-10 1.4460154e-10 ] [ 6.1583136e-10 3.9388322e-10 3.4884828e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.7e-06 7.7e-06 -2.7e-06 ] [ 3.14e-05 -2.53e-05 8.3e-06 ] [ -1.24e-05 6.4e-06 4.3e-06 ] [ 5.3e-06 -1.9e-06 -2.12e-05 ] [ -1.45e-05 2.34e-05 1.3e-05 ] [ 7.6e-06 3.6e-06 -5.4e-06 ] [ -2e-05 -1.38e-05 3.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.3258769118e-15 1.23367600818e-14 -4.3258769118e-15 ] [ 5.030834630759999e-14 -4.053506884019999e-14 1.32980660622e-14 ] [ -1.98669902616e-14 1.02539304576e-14 6.8893595262e-15 ] [ 8.4915361602e-15 -3.0441356046e-15 -3.39661446408e-14 ] [ -2.3231561193e-14 3.749093323559999e-14 2.082829624199999e-14 ] [ 1.21765424184e-14 5.767835882399999e-15 -8.6517538236e-15 ] [ -3.204353268e-14 -2.21100375492e-14 5.9280535458e-15 ] ] } "relaxed-potential-energy" { "source-value" -20.34862 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.260208349814508e-18 } }