{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.839564 1.867321 2.162261 ] [ 1.684665 2.737292 4.133334 ] [ 1.168876 4.298629 2.101191 ] [ 4.284365 2.457862 3.031672 ] [ 3.236614 0.5901118 4.309357 ] [ 3.135041 3.239997 1.121025 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.839564e-10 1.867321e-10 2.162261e-10 ] [ 1.684665e-10 2.737292e-10 4.133334e-10 ] [ 1.168876e-10 4.298629e-10 2.101191e-10 ] [ 4.284365e-10 2.457862e-10 3.031672e-10 ] [ 3.236614e-10 5.901118e-11 4.309357e-10 ] [ 3.135041e-10 3.239997e-10 1.121025e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.1875414 -2.9576288 -0.4566457 ] [ 2.3806339 0.9834766 1.1042947 ] [ 1.3675496 -2.3259838 0.9868025 ] [ -2.9456776 -0.4322746 0.9446072 ] [ -1.5018706 3.0572822 -2.319821 ] [ 0.8869061 1.6751285 -0.2592378 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.004744465121011e-10 -4.738643716364759e-09 -7.316270645288506e-10 ] [ 3.814195977263925e-09 1.575703215623873e-09 1.76927515081335e-09 ] [ 2.191055996904392e-09 -3.726636864719543e-09 1.581031894846992e-09 ] [ -4.719495783134254e-09 -6.925802578856718e-10 1.51342757167935e-09 ] [ -2.406261962786868e-09 4.89830606402799e-09 -3.716762970640877e-09 ] [ 1.420980218264907e-09 2.683851719535773e-09 -4.153447423876263e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -22.05143 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.533028560120775e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9065181 1.6797684 2.1566199 ] [ 1.93583 2.8593488 4.2576191 ] [ 1.3726 3.9781263 2.2758784 ] [ 3.9552948 2.6487162 3.1142838 ] [ 2.9766049 0.737857 4.0561091 ] [ 3.2022772 3.2873961 0.9983298 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9065181e-10 1.6797684e-10 2.1566199e-10 ] [ 1.93583e-10 2.8593488e-10 4.257619100000001e-10 ] [ 1.3726e-10 3.9781263e-10 2.2758784e-10 ] [ 3.9552948e-10 2.6487162e-10 3.1142838e-10 ] [ 2.9766049e-10 7.37857e-11 4.0561091e-10 ] [ 3.2022772e-10 3.2873961e-10 9.983298000000001e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.01e-05 4e-07 -4.1e-06 ] [ 6.3e-06 9.2e-06 3.7e-06 ] [ -1.48e-05 -1.05e-05 -1e-05 ] [ 2.95e-05 1.5e-06 1.36e-05 ] [ -3.2e-06 -2.5e-06 -9.1e-06 ] [ 2.2e-06 1.8e-06 6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.220375007808e-14 6.408706483200001e-16 -6.568924145279999e-15 ] [ 1.009371271104e-14 1.474002491136e-14 5.928053496960001e-15 ] [ -2.371221398784e-14 -1.68228545184e-14 -1.6021766208e-14 ] [ 4.72642103136e-14 2.4032649312e-15 2.178960204288e-14 ] [ -5.126965186560001e-15 -4.005441552e-15 -1.457980724928e-14 ] [ 3.52478856576e-15 2.88391791744e-15 9.6130597248e-15 ] ] } "relaxed-potential-energy" { "source-value" -24.45441 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.918028397745773e-18 } }