{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.054063 0.143936 1.020128 ] [ 0.3465957 1.342343 2.730037 ] [ 0.4577023 2.369538 0.7306134 ] [ 2.27069 2.392327 1.674561 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.054063e-10 1.43936e-11 1.020128e-10 ] [ 3.465957e-11 1.342343e-10 2.730037e-10 ] [ 4.577023e-11 2.369538e-10 7.306134e-11 ] [ 2.27069e-10 2.392327e-10 1.674561e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 12.7875863 -32.8211749 -25.4810331 ] [ -20.4222711 6.2797857 45.5476487 ] [ -76.1788211 18.4340051 -54.397522 ] [ 83.8135059 8.1073841 34.3309064 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.048797180632237e-08 -5.258531909196778e-08 -4.082511550665095e-08 ] [ -3.27200853000595e-08 1.006132583217416e-08 7.297537787955153e-08 ] [ -1.220519261665257e-07 2.953453199892797e-08 -8.715443797785366e-08 ] [ 1.342840396602629e-07 1.298946126086565e-08 5.50041756049531e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 10.573313 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.694031489300071e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.2386386 0.0561205 0.8881192 ] [ 0.2442782 1.4335404 2.9867217 ] [ 0.1372234 2.4913088 0.5048308 ] [ 2.5089108 2.2671742 1.7756677 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2386386e-10 5.61205e-12 8.881192e-11 ] [ 2.442782e-11 1.4335404e-10 2.9867217e-10 ] [ 1.372234e-11 2.4913088e-10 5.048308e-11 ] [ 2.508910800000001e-10 2.2671742e-10 1.7756677e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.38e-05 8.7e-06 5.8e-06 ] [ 2.04e-05 -1e-05 -2.25e-05 ] [ 2.52e-05 -2.19e-05 8.8e-06 ] [ -1.18e-05 2.31e-05 7.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.415356978304e-14 1.393893660096e-14 9.292624400640001e-15 ] [ 3.268440306432e-14 -1.6021766208e-14 -3.604897396800001e-14 ] [ 4.037485084416e-14 -3.508766799552e-14 1.409915426304e-14 ] [ -1.890568412544e-14 3.701027994048e-14 1.265719530432e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.916209 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.069404808916655e-18 } }