{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.167127 3.726278 2.425808 ] [ 5.703742 2.419847 2.282123 ] [ 3.651151 2.438119 0.811047 ] [ 3.941822 0.8653656 2.619853 ] [ 4.06698 3.157982 3.365965 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.167127e-10 3.726278000000001e-10 2.425808e-10 ] [ 5.703742000000001e-10 2.419847e-10 2.282123e-10 ] [ 3.651151e-10 2.438119e-10 8.11047e-11 ] [ 3.941822e-10 8.653656e-11 2.619853e-10 ] [ 4.06698e-10 3.157982e-10 3.365965e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.3029486 1.3259164 -0.8911458 ] [ 8.1059914 0.7044395 -1.5446467 ] [ -2.9597348 -0.0818678 -8.3811259 ] [ -2.0698828 -7.3186047 1.3117729 ] [ -0.7734252 5.3701166 9.5051455 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.689730405824091e-09 2.124352257215302e-09 -1.427772966484113e-09 ] [ 1.298722990948586e-08 1.128636497668041e-09 -2.474796830135871e-09 ] [ -4.742017900328164e-09 -1.311666751563303e-10 -1.342804397296136e-08 ] [ -3.316317829956042e-09 -1.1725697347217e-08 2.101691872179017e-09 ] [ -1.239163773377564e-09 8.603875267489986e-09 1.522892189740233e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -2.1539006 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.450929184847093e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.467371 3.8814735 2.1667714 ] [ 5.5830078 2.0467679 3.2498744 ] [ 2.6317384 1.9296922 0.8998144 ] [ 4.5573433 0.7958193 1.5691603 ] [ 4.2913616 3.9538387 3.6191756 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.467371e-10 3.8814735e-10 2.1667714e-10 ] [ 5.5830078e-10 2.0467679e-10 3.2498744e-10 ] [ 2.6317384e-10 1.9296922e-10 8.998144e-11 ] [ 4.5573433e-10 7.958193e-11 1.5691603e-10 ] [ 4.2913616e-10 3.9538387e-10 3.6191756e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1e-06 1.05e-05 7.2e-06 ] [ -1.06e-05 -1.7e-06 -1.28e-05 ] [ -3.2e-06 9e-07 -4.4e-06 ] [ 1.68e-05 -1.22e-05 7.8e-06 ] [ -1.9e-06 2.5e-06 2.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.6021766208e-15 1.68228545184e-14 1.153567166976e-14 ] [ -1.698307218048e-14 -2.72370025536e-15 -2.050786074624e-14 ] [ -5.126965186560001e-15 1.44195895872e-15 -7.04957713152e-15 ] [ 2.691656722944e-14 -1.954655477376e-14 1.249697764224e-14 ] [ -3.04413557952e-15 4.005441552e-15 3.36457090368e-15 ] ] } "relaxed-potential-energy" { "source-value" -7.4797183 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.198382979042992e-18 } }