{ "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" [ [ 0.489786 0.6379758 2.385139 ] [ 2.264964 0.0865491 0.9234604 ] [ 2.944507 2.806058 0.1090737 ] [ 1.576252 2.005156 0.0788695 ] [ 2.792909 2.291732 2.895835 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.89786e-11 6.379758e-11 2.385139e-10 ] [ 2.264964e-10 8.654910000000001e-12 9.234604e-11 ] [ 2.944507e-10 2.806058e-10 1.090737e-11 ] [ 1.576252e-10 2.005156e-10 7.88695e-12 ] [ 2.792909e-10 2.291732e-10 2.895835e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.8756465 2.7073948 2.2418453 ] [ -2.1366921 -12.2762891 3.5384454 ] [ 35.4438662 29.2290549 2.9640051 ] [ -33.2899139 -17.5854052 -3.1397818 ] [ -3.8929067 -2.0747554 -5.6045141 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.209470263943881e-09 4.337724687573103e-09 3.59183215670272e-09 ] [ -3.423358156672391e-09 -1.966878354824889e-08 5.669214540564783e-09 ] [ 5.678733424426237e-08 4.68301087946832e-08 4.748859714276833e-09 ] [ -5.33363221984518e-08 -2.81749253108621e-08 -5.030485035818461e-09 ] [ -6.237124153082047e-09 -3.324124623145323e-09 -8.97942153594354e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 2.2268629 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.567827705501478e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.2290454 0.9320537 2.3520701 ] [ 1.6376667 -0.7959429 0.6032588 ] [ 2.9705683 3.3501891 0.654257 ] [ 1.5793296 1.5856422 -0.1288 ] [ 2.651808 2.7555289 2.9115918 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2290454e-10 9.320537e-11 2.3520701e-10 ] [ 1.6376667e-10 -7.959429e-11 6.032588e-11 ] [ 2.9705683e-10 3.3501891e-10 6.54257e-11 ] [ 1.5793296e-10 1.5856422e-10 -1.288e-11 ] [ 2.651808e-10 2.7555289e-10 2.9115918e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -9.1e-06 3.11e-05 -1.87e-05 ] [ 1.59e-05 3.3e-06 1.63e-05 ] [ 5.1e-06 2.89e-05 -1.79e-05 ] [ -1.35e-05 -1.6e-05 6e-06 ] [ 1.6e-06 -4.72e-05 1.43e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.45798073694e-14 4.982769331739999e-14 -2.99607030558e-14 ] [ 2.54746084806e-14 5.2871828922e-15 2.61154791342e-14 ] [ 8.1711008334e-15 4.63029047226e-14 -2.86789617486e-14 ] [ -2.162938455899999e-14 -2.5634826144e-14 9.613059803999999e-15 ] [ 2.5634826144e-15 -7.562273712480001e-14 2.29111258662e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.164352 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.788726390815117e-18 } }