{ "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" [ [ 0.9991242 0.9479007 1.187372 ] [ 1.085399 0.1016804 2.948528 ] [ 2.969901 0.5974891 1.991295 ] [ 2.924101 2.886024 0.3835606 ] [ 2.264584 2.996261 2.274235 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.991242000000001e-11 9.479007e-11 1.187372e-10 ] [ 1.085399e-10 1.016804e-11 2.948528e-10 ] [ 2.969901e-10 5.974891e-11 1.991295e-10 ] [ 2.924101e-10 2.886024e-10 3.835606e-11 ] [ 2.264584e-10 2.996261e-10 2.274235e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.8661301 5.6564858 -10.0174715 ] [ -2.608737 -5.6571812 10.4393371 ] [ 7.1889226 1.5397921 -0.1838784 ] [ 2.9761867 -0.9897144 -6.6235978 ] [ -2.6902422 -0.5493823 6.3856106 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.796399944224084e-09 9.062689379312797e-09 -1.604975876906093e-08 ] [ -4.179657465651257e-09 -9.06380353294408e-09 1.672566197606932e-08 ] [ 1.151792381335453e-08 2.467018923837791e-09 -2.946056759773056e-10 ] [ 4.768376789161568e-09 -1.585697286013329e-09 -1.06121736281738e-08 ] [ -4.310243192640754e-09 -8.80207484193178e-10 1.023087609714272e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -8.2102851 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.315432694569835e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.6198073 1.6225579 1.2604494 ] [ 1.3290971 -0.2436153 2.4488087 ] [ 3.3070336 0.974856 2.4173846 ] [ 2.812858 2.0425142 0.2823345 ] [ 2.1743132 3.1330424 2.3760134 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.198073e-11 1.6225579e-10 1.2604494e-10 ] [ 1.3290971e-10 -2.436153e-11 2.4488087e-10 ] [ 3.3070336e-10 9.74856e-11 2.4173846e-10 ] [ 2.812858e-10 2.0425142e-10 2.823345e-11 ] [ 2.1743132e-10 3.1330424e-10 2.3760134e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3e-06 -8.1e-06 2.4e-06 ] [ 4.6e-06 3.5e-06 -6e-06 ] [ -7.9e-06 -7e-06 -2e-07 ] [ -4.2e-06 -3e-07 6.8e-06 ] [ 4.5e-06 1.19e-05 -3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.806529901999999e-15 -1.29776307354e-14 3.845223921599999e-15 ] [ 7.370012516399999e-15 5.607618218999999e-15 -9.613059803999999e-15 ] [ -1.26571954086e-14 -1.1215236438e-14 -3.204353268e-16 ] [ -6.729141862799999e-15 -4.806529901999999e-16 1.08948011112e-14 ] [ 7.209794853e-15 1.90659019446e-14 -4.806529901999999e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.004913 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.243834436980284e-18 } }