{ "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" [ [ 1.770773490367356e-08 -9.8379652679448e-10 -2.149291337950519e-08 ] [ -9.930374809990992e-09 8.201629440501033e-09 -1.003215452178627e-08 ] [ 6.027867017606233e-09 1.55046649853781e-08 2.508686118084332e-08 ] [ -2.994803600059595e-09 -8.405521956611056e-09 -1.11827073536679e-09 ] [ -5.013792236596551e-10 -2.419872773615889e-09 -3.058029975610902e-09 ] [ -3.491530583465434e-10 -8.560258252035975e-09 1.803933050952107e-08 ] [ -9.959891229223004e-09 -3.336844756604069e-09 -7.42482307809523e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.950714 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.196456753906726e-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" [ [ 2.72370025536e-14 3.52478856576e-14 7.77055661088e-14 ] [ -1.0830713956608e-13 -5.960097029376001e-14 -3.36457090368e-14 ] [ -3.957376253376001e-14 3.861245656128e-14 -1.954655477376e-14 ] [ 1.8024486984e-13 -1.033403920416e-13 6.200423522496e-14 ] [ -6.713120041152e-14 8.427449025408001e-14 5.191052251392001e-14 ] [ 2.291112567744e-14 2.114873139456e-14 3.84522388992e-14 ] [ -1.538089555968e-14 -1.634220153216e-14 -1.7688029893632e-13 ] ] } "relaxed-potential-energy" { "source-value" -27.211343 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.359737757516974e-18 } }