{ "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" [ [ 2.317023 1.146232 2.35214 ] [ 1.137751 1.512768 4.697187 ] [ 2.525224 3.828296 5.439775 ] [ 1.195151 3.273987 3.261847 ] [ 3.958209 2.788765 2.245111 ] [ 4.201729 2.884975 4.427405 ] [ 3.756146 4.818354 3.421856 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.317023e-10 1.146232e-10 2.35214e-10 ] [ 1.137751e-10 1.512768e-10 4.697187e-10 ] [ 2.525224e-10 3.828296e-10 5.439775e-10 ] [ 1.195151e-10 3.273987e-10 3.261847e-10 ] [ 3.958209e-10 2.788765e-10 2.245111e-10 ] [ 4.201729000000001e-10 2.884975e-10 4.427405e-10 ] [ 3.756146e-10 4.818354e-10 3.421856e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.5389998 -0.0752201 -0.0779816 ] [ 1.3890225 0.5483289 2.0911689 ] [ -5.2301975 -1.2118383 1.3578803 ] [ -0.4477124 1.8393085 -0.9468093 ] [ 0.442821 -1.7582349 -4.7255272 ] [ 4.861645 -4.8009684 4.0349487 ] [ -0.4765789 5.4586242 -1.7336799 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.635728781758759e-10 -1.205158856342381e-10 -1.249402963725773e-10 ] [ 2.225459375265168e-09 8.785197440889811e-10 3.350421921724053e-09 ] [ -8.379700156666608e-09 -1.941578992450017e-09 2.17556407050489e-09 ] [ -7.17314340122258e-10 2.946897077138717e-09 -1.516955724816013e-09 ] [ 7.094774533992768e-10 -2.817002850654626e-09 -7.571129200794486e-09 ] [ 7.789213957629216e-09 -7.691999327679584e-09 6.464700473267354e-09 ] [ -7.635635715465812e-10 8.745680074973103e-09 -2.777661403730882e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.337548 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.13691075843978e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0597049 1.5761064 2.3085427 ] [ 1.3611999 1.3670114 4.7393554 ] [ 2.3374916 3.7185169 5.0390001 ] [ 0.502312 3.3210294 3.2935416 ] [ 4.1873592 2.5331511 2.3380337 ] [ 4.7510275 2.8917666 4.7863245 ] [ 3.8921378 4.8457951 3.3405229 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0597049e-10 1.5761064e-10 2.3085427e-10 ] [ 1.3611999e-10 1.3670114e-10 4.7393554e-10 ] [ 2.3374916e-10 3.7185169e-10 5.0390001e-10 ] [ 5.02312e-11 3.3210294e-10 3.2935416e-10 ] [ 4.187359200000001e-10 2.5331511e-10 2.3380337e-10 ] [ 4.7510275e-10 2.8917666e-10 4.7863245e-10 ] [ 3.8921378e-10 4.8457951e-10 3.3405229e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.25e-05 1.38e-05 2.19e-05 ] [ 3e-07 -3.6e-06 -1.08e-05 ] [ 3.9e-06 -6.7e-06 -9e-07 ] [ -1.76e-05 7.7e-06 3.7e-06 ] [ 9.9e-06 -1.39e-05 -1.86e-05 ] [ -5.3e-06 4.5e-06 7.8e-06 ] [ -3.8e-06 -1.8e-06 -3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.002720776e-14 2.211003736704e-14 3.508766799552e-14 ] [ 4.8065298624e-16 -5.76783583488e-15 -1.730350750464e-14 ] [ 6.24848882112e-15 -1.073458335936e-14 -1.44195895872e-15 ] [ -2.819830852608e-14 1.233675998016e-14 5.928053496960001e-15 ] [ 1.586154854592e-14 -2.227025502912e-14 -2.980048514688e-14 ] [ -8.491536090240001e-15 7.2097947936e-15 1.249697764224e-14 ] [ -6.08827115904e-15 -2.88391791744e-15 -4.8065298624e-15 ] ] } "relaxed-potential-energy" { "source-value" -16.389908 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.625952741466288e-18 } }