{ "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" [ [ 1.097689 0.3905239 0.41263 ] [ 0.032965 0.0756626 2.808384 ] [ 2.827906 0.6568563 1.349893 ] [ 2.515385 2.187975 0.7174512 ] [ 1.727021 2.867394 2.060494 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.097689e-10 3.905239e-11 4.1263e-11 ] [ 3.2965e-12 7.56626e-12 2.808384e-10 ] [ 2.827906e-10 6.568562999999999e-11 1.349893e-10 ] [ 2.515385e-10 2.187975e-10 7.174512e-11 ] [ 1.727021e-10 2.867394e-10 2.060494e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -20.2051725 -11.0087931 -7.3805198 ] [ -1.1348757 -0.4243056 -0.2252467 ] [ 22.3163915 -37.0483057 22.0830643 ] [ 18.0941525 31.3662988 -46.995993 ] [ -19.0704958 17.1151056 32.5186951 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.237225526543937e-08 -1.763803107336042e-08 -1.182489637033435e-08 ] [ -1.818271329034394e-09 -6.798125179953503e-10 -3.608849996256078e-10 ] [ 3.575480101649621e-08 -5.935792972182901e-08 3.538096962857956e-08 ] [ 2.899002834753268e-08 5.025435103242223e-08 -7.529588187622755e-08 ] [ -3.055430276955513e-08 2.742142228076255e-08 5.21006934573903e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 18.497951 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.963698486907693e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0332468 0.1818395 0.4131907 ] [ 0.013596 0.7804127 2.5727462 ] [ 3.5423007 0.0700895 1.3571527 ] [ 2.3084629 2.2618948 0.423045 ] [ 1.3033596 2.8841752 2.5827177 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0332468e-10 1.818395e-11 4.131907000000001e-11 ] [ 1.3596e-12 7.804126999999999e-11 2.5727462e-10 ] [ 3.5423007e-10 7.00895e-12 1.3571527e-10 ] [ 2.3084629e-10 2.2618948e-10 4.23045e-11 ] [ 1.3033596e-10 2.8841752e-10 2.5827177e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.44e-05 -1.43e-05 -9.7e-06 ] [ -5.9e-06 -8.4e-06 8.7e-06 ] [ 4.7e-06 2e-06 -6e-07 ] [ 2.02e-05 6.6e-06 -8.1e-06 ] [ -4.5e-06 1.41e-05 9.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.30713435296e-14 -2.29111258662e-14 -1.55411133498e-14 ] [ -9.452842140600001e-15 -1.34582837256e-14 1.39389367158e-14 ] [ 7.530230179799999e-15 3.204353268e-15 -9.613059803999998e-16 ] [ 3.236396800679999e-14 1.05743657844e-14 -1.29776307354e-14 ] [ -7.209794853e-15 2.25906905394e-14 1.53808956864e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.065358 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.933083466844497e-18 } }