{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.4009464 1.193297 0.9558509 ] [ 0.2244953 2.906435 0.4394059 ] [ 0.3187826 2.815079 2.795658 ] [ 1.502588 0.0124763 2.860219 ] [ 2.103704 2.743898 0.1444875 ] [ 2.704733 1.991532 2.940817 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.009464e-11 1.193297e-10 9.558509e-11 ] [ 2.244953e-11 2.906435e-10 4.394059e-11 ] [ 3.187826e-11 2.815079e-10 2.795658e-10 ] [ 1.502588e-10 1.24763e-12 2.860219e-10 ] [ 2.103704e-10 2.743898e-10 1.444875e-11 ] [ 2.704733e-10 1.991532e-10 2.940817e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.9062503 -20.4324507 6.3227456 ] [ -9.1122631 14.1526165 -1.8567678 ] [ -0.3285021 0.9556779 0.3879142 ] [ 7.4727137 12.6135772 0.3105683 ] [ 14.4615608 5.2013581 -4.6558322 ] [ -7.5872589 -12.4907791 -0.5086281 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.860679526452987e-09 -3.27363948171886e-08 1.013015517958607e-08 ] [ -1.459945490139853e-08 2.267499127944833e-08 -2.97486995941425e-09 ] [ -5.263183845037038e-10 1.53116478839524e-09 6.215070621163354e-10 ] [ 1.197260718407187e-08 2.020917849449593e-08 4.975852694216006e-10 ] [ 2.316997461403774e-08 8.333494344228708e-09 -7.45946550120783e-09 ] [ -1.215612882553673e-08 -2.001243424959727e-08 -8.149120505019245e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -2.6179857 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.194475482128723e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.6720197 0.8216946 1.3202891 ] [ 0.3812593 2.9112796 0.6646503 ] [ -0.6585342 4.2683344 2.0601324 ] [ 1.8838723 -0.2268409 2.8204397 ] [ 1.5427443 3.6655607 -1.0476872 ] [ 3.433888 0.222689 4.3186141 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.720197e-11 8.216946000000001e-11 1.3202891e-10 ] [ 3.812593e-11 2.9112796e-10 6.646503e-11 ] [ -6.585342e-11 4.2683344e-10 2.0601324e-10 ] [ 1.8838723e-10 -2.268409e-11 2.8204397e-10 ] [ 1.5427443e-10 3.6655607e-10 -1.0476872e-10 ] [ 3.433888e-10 2.22689e-11 4.3186141e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.1800117 0.4124994 -0.2442141 ] [ -0.151687 -0.2254773 0.5363228 ] [ 0.0281163 -0.1089612 -0.2218236 ] [ 0.3460104 -0.006399 0.3420057 ] [ 0.0909468 0.1317671 -0.3220727 ] [ -0.1333748 -0.203429 -0.0902181 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.884105372104634e-10 6.608968947740276e-10 -3.912741214897133e-10 ] [ -2.430293650792896e-10 -3.612544585811078e-10 8.592838513619943e-10 ] [ 4.504727852339904e-11 -1.74575087214313e-10 -3.554005858616909e-10 ] [ 5.543697734336563e-10 -1.02523281964992e-11 5.479535367203386e-10 ] [ 1.457128366965734e-10 2.111141670106157e-10 -5.160173501379322e-10 ] [ -2.136899863638758e-10 -3.259291877927232e-10 -1.445453305929965e-10 ] ] } "relaxed-potential-energy" { "source-value" -12.850652 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.058901419643676e-18 } }