{ "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" [ [ 2.743488 1.903222 1.191758 ] [ 2.092285 1.109675 3.649357 ] [ 1.94045 3.241003 2.726585 ] [ 4.050079 0.1031898 2.277213 ] [ 5.000478 2.032764 2.106801 ] [ 4.158728 1.007331 4.48257 ] [ 3.981083 3.39009 3.613579 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.743488e-10 1.903222e-10 1.191758e-10 ] [ 2.092285e-10 1.109675e-10 3.649357e-10 ] [ 1.94045e-10 3.241003e-10 2.726585e-10 ] [ 4.050079e-10 1.031898e-11 2.277213e-10 ] [ 5.000478000000001e-10 2.032764e-10 2.106801e-10 ] [ 4.158728e-10 1.007331e-10 4.48257e-10 ] [ 3.981083e-10 3.39009e-10 3.613579e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.8678573 -0.6485574 -6.8819469 ] [ -4.4097133 -2.3581476 2.8058835 ] [ -3.5766156 3.3429234 1.2158752 ] [ -1.5431748 -5.9698154 -0.5003715 ] [ 5.2897997 5.0309666 -5.1181392 ] [ 1.621161 0.9939599 5.2301273 ] [ 1.7506858 -0.3913294 3.2485715 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.390460687706328e-09 -1.039103512087791e-09 -1.102609451960873e-08 ] [ -7.065139611899032e-09 -3.778168984243178e-09 4.495520981426139e-09 ] [ -5.730369943119889e-09 5.355953760731835e-09 1.948046835300076e-09 ] [ -2.472438606737623e-09 -9.564698743173363e-09 -8.016835256195308e-10 ] [ 8.47519347788021e-09 8.060497132954424e-09 -8.200163035799452e-09 ] [ 2.597386274152074e-09 1.592499326912976e-09 8.379587752905508e-09 ] [ 2.804907882235597e-09 -6.269788208772395e-10 5.20478535117833e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.373257 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.302849651987694e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8910199 1.9776701 0.784879 ] [ 1.792651 0.8223032 3.843636 ] [ 1.9709619 3.013297 2.7904689 ] [ 3.7954844 0.2999849 2.4207508 ] [ 5.1924556 2.2663668 1.7203414 ] [ 4.0940807 1.1109962 4.7791108 ] [ 4.2299373 3.2966566 3.7086761 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8910199e-10 1.9776701e-10 7.848790000000001e-11 ] [ 1.792651e-10 8.223032e-11 3.843636e-10 ] [ 1.9709619e-10 3.013297e-10 2.7904689e-10 ] [ 3.7954844e-10 2.999849e-11 2.4207508e-10 ] [ 5.1924556e-10 2.2663668e-10 1.7203414e-10 ] [ 4.0940807e-10 1.1109962e-10 4.7791108e-10 ] [ 4.2299373e-10 3.2966566e-10 3.7086761e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.59e-05 5.1e-06 2.35e-05 ] [ -1.96e-05 -1.04e-05 -1.34e-05 ] [ 1.35e-05 -3.6e-06 -1.05e-05 ] [ -1.02e-05 1.41e-05 1.64e-05 ] [ -3.22e-05 -9e-06 -2.8e-06 ] [ 2.72e-05 -2e-05 -3e-06 ] [ -4.8e-06 2.38e-05 -1.03e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.149637482059999e-14 8.1711008334e-15 3.765115089899999e-14 ] [ -3.140266202639999e-14 -1.66626369936e-14 -2.14691668956e-14 ] [ 2.162938455899999e-14 -5.767835882399999e-15 -1.6822854657e-14 ] [ -1.63422016668e-14 2.25906905394e-14 2.62756967976e-14 ] [ -5.159008761479998e-14 -1.4419589706e-14 -4.486094575199999e-15 ] [ 4.35792044448e-14 -3.204353268e-14 -4.806529901999999e-15 ] [ -7.690447843199998e-15 3.81318038892e-14 -1.65024193302e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.65628 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.828847925936151e-18 } }