{ "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" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.966235 1.459279 2.017921 ] [ 1.582263 2.973277 1.988687 ] [ 1.824476 2.329709 3.996255 ] [ 2.988754 4.654766 3.111716 ] [ 4.721481 3.212435 2.659559 ] [ 3.387912 3.682172 0.4517977 ] [ 4.184602 3.482657 5.105901 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.966235e-10 1.459279e-10 2.017921e-10 ] [ 1.582263e-10 2.973277e-10 1.988687e-10 ] [ 1.824476e-10 2.329709e-10 3.996255e-10 ] [ 2.988754e-10 4.654766e-10 3.111716e-10 ] [ 4.721481e-10 3.212435e-10 2.659559e-10 ] [ 3.387912e-10 3.682172e-10 4.517977e-11 ] [ 4.184602e-10 3.482657e-10 5.105901e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 11.0522989 -0.6140375 -13.4148215 ] [ -6.1980525 5.1190545 -6.2615784 ] [ 3.7622987 9.6772508 15.6579873 ] [ -1.8692094 -5.2463142 -0.6979697 ] [ -0.3129363 -1.5103658 -1.9086722 ] [ -0.2179242 -5.342893 11.2592646 ] [ -6.2164752 -2.0826947 -4.6342101 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.77077350495639e-08 -9.837965348997749e-10 -2.149291355658083e-08 ] [ -9.930374891805284e-09 8.201629508072552e-09 -1.00321546044391e-08 ] [ 6.027867067268576e-09 1.55046651131178e-08 2.508686138752875e-08 ] [ -2.994803624733159e-09 -8.405522025862402e-09 -1.11827074457999e-09 ] [ -5.013792277904141e-10 -2.419872793552717e-09 -3.058030000805375e-09 ] [ -3.491530612231428e-10 -8.560258322562162e-09 1.803933065814335e-08 ] [ -9.959891311280475e-09 -3.336844784095639e-09 -7.424823139266802e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.950714 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.196456780241667e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.1690164 1.5567556 2.1536832 ] [ 1.1937113 3.1109172 1.7885615 ] [ 1.9151239 2.4626856 4.1114219 ] [ 2.878488 4.5297266 3.0137961 ] [ 4.9923625 3.1970677 2.6124635 ] [ 3.3981914 3.6370114 0.7147326 ] [ 4.1088294 3.3001309 4.937178 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.1690164e-10 1.5567556e-10 2.1536832e-10 ] [ 1.1937113e-10 3.1109172e-10 1.7885615e-10 ] [ 1.9151239e-10 2.4626856e-10 4.1114219e-10 ] [ 2.878488e-10 4.5297266e-10 3.0137961e-10 ] [ 4.9923625e-10 3.1970677e-10 2.6124635e-10 ] [ 3.3981914e-10 3.6370114e-10 7.147326000000001e-11 ] [ 4.1088294e-10 3.3001309e-10 4.937178e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.7e-05 2.2e-05 4.85e-05 ] [ -6.76e-05 -3.72e-05 -2.1e-05 ] [ -2.47e-05 2.41e-05 -1.22e-05 ] [ 0.0001125 -6.45e-05 3.87e-05 ] [ -4.19e-05 5.26e-05 3.24e-05 ] [ 1.43e-05 1.32e-05 2.4e-05 ] [ -9.6e-06 -1.02e-05 -0.0001104 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.723700277799999e-14 3.5247885948e-14 7.770556674899999e-14 ] [ -1.083071404584e-13 -5.96009707848e-14 -3.364570931399999e-14 ] [ -3.95737628598e-14 3.86124568794e-14 -1.95465549348e-14 ] [ 1.80244871325e-13 -1.03340392893e-13 6.200423573579999e-14 ] [ -6.713120096459999e-14 8.42744909484e-14 5.19105229416e-14 ] [ 2.29111258662e-14 2.11487315688e-14 3.8452239216e-14 ] [ -1.53808956864e-14 -1.63422016668e-14 -1.768803003936e-13 ] ] } "relaxed-potential-energy" { "source-value" -27.211343 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.359737793435946e-18 } }