{ "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" [ [ 0.5419945 1.059703 1.497036 ] [ 0.5287309 2.297187 0.1799033 ] [ 1.173246 2.181689 2.79912 ] [ 2.288869 1.000101 0.1162968 ] [ 2.25753 0.9328521 1.885741 ] [ 2.965412 2.910996 0.3877363 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.419945000000001e-11 1.059703e-10 1.497036e-10 ] [ 5.287309e-11 2.297187e-10 1.799033e-11 ] [ 1.173246e-10 2.181689e-10 2.79912e-10 ] [ 2.288869e-10 1.000101e-10 1.162968e-11 ] [ 2.25753e-10 9.328521e-11 1.885741e-10 ] [ 2.965412e-10 2.910996e-10 3.877363e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -33.8157698 -23.876275 -1.0946139 ] [ -9.3905984 21.3434736 -20.8151549 ] [ -3.0344999 21.41512 20.8788149 ] [ 4.0810933 -7.9835348 -27.2150116 ] [ 39.1615385 -17.5701823 27.8118619 ] [ 2.9982363 6.6713986 0.4341037 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.417883578791469e-08 -3.825400959679152e-08 -1.753764799382709e-09 ] [ -1.504539721180189e-08 3.419601440858201e-08 -3.334955453911056e-08 ] [ -4.861804795599938e-09 3.43108045956265e-08 3.345154910279068e-08 ] [ 6.538632272563521e-09 -1.279103280790321e-08 -4.36032553203208e-08 ] [ 6.27437014192591e-08 -2.815053530425397e-08 4.455951491709828e-08 ] [ 4.803704103493895e-09 1.068875886495785e-08 6.955107991427769e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 8.4451547 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.353062941937924e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.1141033 1.1054941 1.3298457 ] [ 0.6725722 2.6459511 -0.3398644 ] [ 1.0854489 1.6869782 3.2127872 ] [ 1.9897256 0.6117916 0.2070403 ] [ 3.1375246 1.4449727 2.1866573 ] [ 2.9846145 2.8873404 0.2693672 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.141033e-11 1.1054941e-10 1.3298457e-10 ] [ 6.725722e-11 2.6459511e-10 -3.398644e-11 ] [ 1.0854489e-10 1.6869782e-10 3.2127872e-10 ] [ 1.9897256e-10 6.117916e-11 2.070403e-11 ] [ 3.1375246e-10 1.4449727e-10 2.1866573e-10 ] [ 2.9846145e-10 2.8873404e-10 2.693672e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4e-07 -1.13e-05 -1.25e-05 ] [ 3.32e-05 6.9e-06 -1.1e-05 ] [ 1.06e-05 -1.84e-05 1.71e-05 ] [ -1.88e-05 2.94e-05 2.56e-05 ] [ -3.6e-06 1.18e-05 -3e-06 ] [ -2.18e-05 -1.85e-05 -1.62e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.408706483200001e-16 -1.810459581504e-14 -2.002720776e-14 ] [ 5.319226381056e-14 1.105501868352e-14 -1.76239428288e-14 ] [ 1.698307218048e-14 -2.948004982272e-14 2.739722021568e-14 ] [ -3.012092047104e-14 4.710399265152e-14 4.101572149248001e-14 ] [ -5.76783583488e-15 1.890568412544e-14 -4.8065298624e-15 ] [ -3.492745033344e-14 -2.96402674848e-14 -2.595526125696e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.026204 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.888116261057145e-18 } }