{ "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" [ [ 2.298469 1.653345 1.333865 ] [ 0.8562694 1.609736 3.078689 ] [ 0.6106735 3.571622 1.917701 ] [ 2.573163 3.601998 2.791817 ] [ 3.634663 1.831744 3.381139 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.298469e-10 1.653345e-10 1.333865e-10 ] [ 8.562694e-11 1.609736e-10 3.078689e-10 ] [ 6.106735e-11 3.571622e-10 1.917701e-10 ] [ 2.573163e-10 3.601998e-10 2.791817e-10 ] [ 3.634663e-10 1.831744e-10 3.381139e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6778023 -0.3472036 -0.5141159 ] [ -0.4445996 -0.7323753 0.8382303 ] [ -1.9246889 0.1858644 -0.9547492 ] [ 1.3961391 2.6718073 0.4752397 ] [ 0.295347 -1.7780929 0.1553951 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.085958998584468e-09 -5.562814905775949e-10 -8.237044753615507e-10 ] [ -7.123270847370317e-10 -1.173394583311386e-09 1.34299298950617e-09 ] [ -3.083691557893269e-09 2.977875963190195e-10 -1.529676846967503e-09 ] [ 2.236861425404753e-09 4.280707191342772e-09 7.614179366160058e-10 ] [ 4.731980584234177e-10 -2.848818873990473e-09 2.489703962068781e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -13.432403 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.152108204776379e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.357391 1.8804087 1.2430159 ] [ 0.9044393 1.2952739 3.1201418 ] [ 0.6358797 3.3992531 2.0835944 ] [ 2.9034831 3.8987452 2.5099561 ] [ 3.1720447 1.7947642 3.5465028 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.357391e-10 1.8804087e-10 1.2430159e-10 ] [ 9.044393e-11 1.2952739e-10 3.1201418e-10 ] [ 6.358797e-11 3.3992531e-10 2.0835944e-10 ] [ 2.9034831e-10 3.8987452e-10 2.5099561e-10 ] [ 3.1720447e-10 1.7947642e-10 3.5465028e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.1e-06 4.7e-06 1.43e-05 ] [ 6.5e-06 -2.31e-05 6.2e-06 ] [ 6.8e-06 9.2e-06 -8e-06 ] [ 6.1e-06 2.04e-05 -9.9e-06 ] [ -1.22e-05 -1.12e-05 -2.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.137545400768e-14 7.53023011776e-15 2.291112567744e-14 ] [ 1.04141480352e-14 -3.701027994048e-14 9.93349504896e-15 ] [ 1.089480102144e-14 1.474002491136e-14 -1.28174129664e-14 ] [ 9.77327738688e-15 3.268440306432e-14 -1.586154854592e-14 ] [ -1.954655477376e-14 -1.794437815296e-14 -4.16565921408e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.50509 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.323971608059987e-18 } }