{ "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" [ [ 2.371302 1.822431 2.77878 ] [ 1.953583 1.464236 4.887458 ] [ 2.036561 3.993513 4.302634 ] [ 4.621904 2.219697 2.273588 ] [ 4.551448 2.283743 4.505208 ] [ 4.054448 4.223119 3.103646 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.371302e-10 1.822431e-10 2.77878e-10 ] [ 1.953583e-10 1.464236e-10 4.887458e-10 ] [ 2.036561e-10 3.993513e-10 4.302634e-10 ] [ 4.621904e-10 2.219697e-10 2.273588e-10 ] [ 4.551448e-10 2.283743e-10 4.505208e-10 ] [ 4.054448e-10 4.223119e-10 3.103646e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.1181345 0.3677369 -1.0898188 ] [ -0.3254863 -0.1062091 0.4184117 ] [ 10.2461867 1.3549083 -6.0560355 ] [ -3.2256689 0.2975917 1.5774904 ] [ 0.6554514 -1.5856351 0.4361594 ] [ -10.4686175 -0.3283927 4.7137929 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.995802196409898e-09 5.891794637854676e-10 -1.746082202268311e-09 ] [ -5.214865402506951e-10 -1.701657369362093e-10 6.703694436091833e-10 ] [ 1.641620078309191e-08 2.170802401587872e-09 -9.70283849283484e-09 ] [ -5.168091298021653e-09 4.767944642841274e-10 2.52741823841644e-09 ] [ 1.050148909150629e-09 -2.54046748633987e-09 6.988043936221555e-10 ] [ -1.677257421059775e-08 -5.261431063813882e-10 7.552328779673032e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.3616593 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.339685504155489e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.555403 1.0752517 3.1789791 ] [ 0.7337271 0.6933593 4.3447035 ] [ 2.030208 5.7010913 4.0478228 ] [ 4.3338808 2.377591 3.2127081 ] [ 6.3158595 1.6972229 3.9085234 ] [ 3.6201676 4.4622227 3.1585772 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.555403e-10 1.0752517e-10 3.1789791e-10 ] [ 7.337271e-11 6.933593e-11 4.3447035e-10 ] [ 2.030208e-10 5.7010913e-10 4.0478228e-10 ] [ 4.3338808e-10 2.377591e-10 3.2127081e-10 ] [ 6.3158595e-10 1.6972229e-10 3.9085234e-10 ] [ 3.6201676e-10 4.4622227e-10 3.1585772e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.1218171 -0.2208014 0.0326189 ] [ -0.1935841 -0.146208 -0.0092823 ] [ 0.313653 -0.0667857 -0.2280941 ] [ 0.8305186 -0.3251831 0.2736569 ] [ -0.4531621 0.1933471 -0.296069 ] [ -0.3756083 0.5656311 0.2271696 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.951725096336557e-10 -3.537628409199092e-10 5.226123897621312e-11 ] [ -3.101559191786093e-10 -2.342510393739264e-10 -1.487188404725184e-11 ] [ 5.025275036437825e-10 -1.070024871437626e-10 -3.654470343624173e-10 ] [ 1.330637484059547e-09 -5.210007602992685e-10 4.384466873006035e-10 ] [ -7.260457220526318e-10 3.097762033194796e-10 -4.743548299436352e-10 ] [ -6.017908368384326e-10 9.06240924417387e-10 3.639658220764877e-10 ] ] } "relaxed-potential-energy" { "source-value" -12.807766 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.052030324987713e-18 } }