{ "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" [ [ 1.593193 1.569284 2.84459 ] [ 1.603337 4.216737 3.188357 ] [ 3.675145 1.205287 1.773064 ] [ 3.545696 2.526378 4.008338 ] [ 3.206595 3.44318 2.117333 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.593193e-10 1.569284e-10 2.84459e-10 ] [ 1.603337e-10 4.216737e-10 3.188357e-10 ] [ 3.675145e-10 1.205287e-10 1.773064e-10 ] [ 3.545696e-10 2.526378e-10 4.008338e-10 ] [ 3.206595e-10 3.44318e-10 2.117333e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5190792 1.767645 0.1903916 ] [ -1.3192611 -1.6478077 1.8360105 ] [ -0.329186 -0.0062628 1.0958603 ] [ -0.8215255 -0.856291 0.7716719 ] [ 1.9508935 0.7427164 -3.8939343 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.316565585835673e-10 2.832079492874016e-09 3.050409703167053e-10 ] [ -2.113689291150891e-09 -2.64007897251422e-09 2.941613098643318e-09 ] [ -5.274141130946687e-10 -1.003411174074624e-11 1.755761752322874e-09 ] [ -1.31622894949103e-09 -1.371929420801453e-09 1.236354677108315e-09 ] [ 3.125675955370685e-09 1.189962851964741e-09 -6.238770498391213e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.523723 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.128045254157524e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.5366944 1.7941052 2.624016 ] [ 1.6988357 3.9747345 3.4982718 ] [ 3.7507521 1.2096153 2.0744016 ] [ 3.4786337 2.5206032 4.0116666 ] [ 3.1590501 3.4618078 1.723326 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5366944e-10 1.7941052e-10 2.624016e-10 ] [ 1.6988357e-10 3.9747345e-10 3.4982718e-10 ] [ 3.7507521e-10 1.2096153e-10 2.0744016e-10 ] [ 3.4786337e-10 2.5206032e-10 4.0116666e-10 ] [ 3.1590501e-10 3.4618078e-10 1.723326e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.95e-05 2.49e-05 1.9e-06 ] [ -1.2e-05 6.6e-06 3.9e-06 ] [ 1.55e-05 -5.4e-05 -2.71e-05 ] [ -1.44e-05 1.64e-05 7.5e-06 ] [ -1.85e-05 6.1e-06 1.38e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.72642103136e-14 3.989419785791999e-14 3.04413557952e-15 ] [ -1.92261194496e-14 1.057436569728e-14 6.24848882112e-15 ] [ 2.48337376224e-14 -8.65175375232e-14 -4.341898642368e-14 ] [ -2.307134333952e-14 2.627569658112e-14 1.2016324656e-14 ] [ -2.96402674848e-14 9.77327738688e-15 2.211003736704e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.115797 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.383123628295878e-18 } }