{ "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" [ [ 0.3288529 1.174724 0.8712814 ] [ 1.395659 1.176494 2.521247 ] [ 2.395391 0.4245255 0.3168768 ] [ 2.017962 2.536207 0.5333854 ] [ 2.744316 1.992854 1.84914 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.288529e-11 1.174724e-10 8.712814e-11 ] [ 1.395659e-10 1.176494e-10 2.521247e-10 ] [ 2.395391e-10 4.245255e-11 3.168768e-11 ] [ 2.017962e-10 2.536207e-10 5.333854e-11 ] [ 2.744316e-10 1.992854e-10 1.84914e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -16.3298503 -2.9645297 -8.2282407 ] [ -18.3418153 -14.7014536 24.3672018 ] [ 4.6577857 -14.1989069 -8.3448446 ] [ -15.574887 26.6762748 -37.271989 ] [ 45.588767 5.1886154 29.4778724 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.616330437182387e-08 -4.749700177007238e-09 -1.318309487985503e-08 ] [ -2.938682765669174e-08 -2.3554325249696e-08 3.904056103827568e-08 ] [ 7.462595353236562e-09 -2.274915667609581e-08 -1.336991492232913e-08 ] [ -2.495371982300185e-08 4.27401038145962e-08 -5.971630938651477e-08 ] [ 7.304125665849854e-08 8.31307828820284e-09 4.722875799020559e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 16.316111 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.614129158657771e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.177404 1.0139571 0.7556202 ] [ 1.0760556 1.1984976 3.0336988 ] [ 2.5602698 0.3689163 0.0823765 ] [ 1.8373152 2.8695523 0.1649924 ] [ 3.2311364 1.8538812 2.0552428 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.77404e-11 1.0139571e-10 7.556202e-11 ] [ 1.0760556e-10 1.1984976e-10 3.0336988e-10 ] [ 2.5602698e-10 3.689163e-11 8.237650000000001e-12 ] [ 1.8373152e-10 2.8695523e-10 1.649924e-11 ] [ 3.2311364e-10 1.8538812e-10 2.0552428e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.1e-06 -2.5e-06 -1.26e-05 ] [ 5.6e-06 1.07e-05 1.39e-05 ] [ 4.9e-06 -3.3e-06 -1.05e-05 ] [ -1.14e-05 4.4e-06 -5.1e-06 ] [ 5e-06 -9.2e-06 1.43e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.568924145279999e-15 -4.005441552e-15 -2.018742542208e-14 ] [ 8.972189076479999e-15 1.714328984256e-14 2.227025502912e-14 ] [ 7.850665441919999e-15 -5.28718284864e-15 -1.68228545184e-14 ] [ -1.826481347712e-14 7.04957713152e-15 -8.17110076608e-15 ] [ 8.010883104e-15 -1.474002491136e-14 2.291112567744e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.977047 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.758716806882278e-18 } }