{ "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" [ [ 0.5178768 0.1602588 0.5935764 ] [ 0.4933098 1.000634 2.761993 ] [ 1.438085 2.624316 0.8145388 ] [ 2.471365 1.192312 0.8679319 ] [ 2.522268 2.85035 2.866422 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.178768e-11 1.602588e-11 5.935764e-11 ] [ 4.933098e-11 1.000634e-10 2.761993e-10 ] [ 1.438085e-10 2.624316e-10 8.145388e-11 ] [ 2.471365e-10 1.192312e-10 8.679319e-11 ] [ 2.522268e-10 2.85035e-10 2.866422e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.7790443 -11.4474981 -8.3467324 ] [ -8.2897132 -3.8255882 12.3180267 ] [ -6.3339475 16.0561208 -8.9351013 ] [ 16.0593789 -8.9429377 -5.8241902 ] [ 7.3433262 8.1599032 10.7879973 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.40655795304275e-08 -1.834091382247242e-08 -1.337293951135388e-08 ] [ -1.328158468217715e-08 -6.129267974848354e-09 1.973565439313018e-08 ] [ -1.014810260187461e-08 2.572474136650059e-08 -1.431561040733969e-08 ] [ 2.572996141814882e-08 -1.432816570421092e-08 -9.331381373532477e-09 ] [ 1.17653055565481e-08 1.307360613503111e-08 1.728427705931353e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 82.718411 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.325295042139256e-17 } "relaxed-configuration-positions" { "source-value" [ [ -2.4552875 -3.3549398 -2.6918807 ] [ -2.3490461 -0.3105874 6.8328569 ] [ -0.2380509 6.4362638 -1.8629191 ] [ 7.0387183 -0.8794572 -0.7579962 ] [ 5.4465707 5.9365914 6.3844011 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -2.4552875e-10 -3.3549398e-10 -2.6918807e-10 ] [ -2.3490461e-10 -3.105874e-11 6.832856900000001e-10 ] [ -2.380509e-11 6.4362638e-10 -1.8629191e-10 ] [ 7.038718300000001e-10 -8.794572e-11 -7.579962e-11 ] [ 5.4465707e-10 5.9365914e-10 6.3844011e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0 -0.0 -0.0 ] [ -0.0 -0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 -0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] ] } "relaxed-potential-energy" { "source-value" 0.0 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 0.0 } }