{ "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" [ [ 1.047673 1.456203 2.59416 ] [ 0.648425 2.408552 0.8864435 ] [ 2.028254 0.9559849 0.3097335 ] [ 1.556479 0.0798405 1.221415 ] [ 2.621496 2.506538 1.825694 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.047673e-10 1.456203e-10 2.59416e-10 ] [ 6.48425e-11 2.408552e-10 8.864435000000001e-11 ] [ 2.028254e-10 9.559849e-11 3.097335e-11 ] [ 1.556479e-10 7.98405e-12 1.221415e-10 ] [ 2.621496e-10 2.506538e-10 1.825694e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -14.6509014 -7.1430185 51.1579509 ] [ -14.786979 20.3954668 -24.5858377 ] [ 3684.3627219 6822.46136 -7105.6951444 ] [ -3670.4887145 -6842.6827221 7087.3159668 ] [ 15.5638729 6.9689138 -8.1929355 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.347333169672599e-08 -1.144437724264189e-08 8.196407290001433e-08 ] [ -2.369135204606057e-08 3.267714007726259e-08 -3.939085436572325e-08 ] [ 5.902999815575233e-06 1.093078808730337e-05 -1.138457863488976e-05 ] [ -5.880771205282145e-06 -1.096318628090072e-05 1.135513194622951e-05 ] [ 2.49360732894827e-08 1.116543076273049e-08 -1.312652971382236e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 1101.8373 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.765337961985396e-16 } "relaxed-configuration-positions" { "source-value" [ [ 0.8366059 1.6242383 3.0065456 ] [ 0.5967117 2.1344498 0.8641288 ] [ 2.3243247 1.3386091 -0.2715673 ] [ 1.5244921 0.2019533 1.4535696 ] [ 2.6201926 2.1078678 1.7847693 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.366059e-11 1.6242383e-10 3.0065456e-10 ] [ 5.967117e-11 2.1344498e-10 8.641288000000001e-11 ] [ 2.3243247e-10 1.3386091e-10 -2.715673e-11 ] [ 1.5244921e-10 2.019533e-11 1.4535696e-10 ] [ 2.620192600000001e-10 2.1078678e-10 1.7847693e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.21e-05 -8.4e-06 -3.22e-05 ] [ -1.96e-05 1.54e-05 -5.2e-06 ] [ -3.4e-06 2e-07 4.06e-05 ] [ 1.47e-05 1.87e-05 8e-06 ] [ -1.38e-05 -2.58e-05 -1.12e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.540810331968e-14 -1.345828361472e-14 -5.159008718975999e-14 ] [ -3.140266176767999e-14 2.467351996032e-14 -8.33131842816e-15 ] [ -5.44740051072e-15 3.2043532416e-16 6.504837080448e-14 ] [ 2.355199632576e-14 2.996070280896e-14 1.28174129664e-14 ] [ -2.211003736704e-14 -4.133615681664e-14 -1.794437815296e-14 ] ] } "relaxed-potential-energy" { "source-value" -28.867458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.625076630952593e-18 } }