{ "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" [ [ 2.476712 2.310837 1.57832 ] [ 2.970546 4.476183 1.171414 ] [ 2.629523 3.538885 3.808943 ] [ 5.406765 3.077785 1.539132 ] [ 4.254834 1.46676 3.134429 ] [ 4.456572 4.8029 2.877728 ] [ 4.871099 3.222036 4.56833 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.476712e-10 2.310837e-10 1.57832e-10 ] [ 2.970546e-10 4.476183e-10 1.171414e-10 ] [ 2.629523e-10 3.538885e-10 3.808943e-10 ] [ 5.406765000000001e-10 3.077785e-10 1.539132e-10 ] [ 4.254834e-10 1.46676e-10 3.134429e-10 ] [ 4.456572000000001e-10 4.8029e-10 2.877728e-10 ] [ 4.871099000000001e-10 3.222036e-10 4.56833e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.6248712 -3.2450967 -2.0751898 ] [ -2.6268132 3.570211 -5.6682175 ] [ -7.8213846 1.0419433 6.0811098 ] [ 5.2409674 -1.5092285 -3.7089095 ] [ 2.1368055 -6.1877988 -0.7550772 ] [ 3.5802771 7.165575 -0.2878649 ] [ 3.1150191 -0.8356053 6.414149 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.807683890051241e-09 -5.199218064975231e-09 -3.324820581282628e-09 ] [ -4.208618696248835e-09 5.720108595522988e-09 -9.081485560109423e-09 ] [ -1.253123954840516e-08 1.669377195459201e-09 9.743011950077765e-09 ] [ 8.396955438654962e-09 -2.418050618145053e-09 -5.942328089563017e-09 ] [ 3.423539815296854e-09 -9.913946571574295e-09 -1.209767036739126e-09 ] [ 5.736236265605624e-09 1.148051673958896e-08 -4.612104127289299e-10 ] [ 4.990810775365458e-09 -1.33878727587657e-09 1.02765995701277e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -4.7632094 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.631502740654796e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.2672989 2.3996065 2.0428433 ] [ 2.9406418 4.5496777 1.2164229 ] [ 1.9828306 3.2184412 4.314706 ] [ 6.0373318 2.9266924 1.4719793 ] [ 4.4859809 1.5111684 2.6947524 ] [ 4.9527366 4.8506533 2.4892375 ] [ 4.3992304 3.4391465 4.4483544 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2672989e-10 2.3996065e-10 2.0428433e-10 ] [ 2.9406418e-10 4.5496777e-10 1.2164229e-10 ] [ 1.9828306e-10 3.2184412e-10 4.314706e-10 ] [ 6.037331799999999e-10 2.9266924e-10 1.4719793e-10 ] [ 4.485980900000001e-10 1.5111684e-10 2.6947524e-10 ] [ 4.9527366e-10 4.8506533e-10 2.4892375e-10 ] [ 4.399230400000001e-10 3.4391465e-10 4.4483544e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.5e-06 -9.5e-06 -3.9e-06 ] [ -1.8e-06 4e-07 5.7e-06 ] [ -1.13e-05 9.8e-06 1.2e-06 ] [ -1.58e-05 6.8e-06 -4.3e-06 ] [ 8.6e-06 -2.7e-06 -1e-06 ] [ 1.34e-05 -8.4e-06 4.9e-06 ] [ -1.5e-06 3.6e-06 -2.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.36185012768e-14 -1.52206778976e-14 -6.24848882112e-15 ] [ -2.88391791744e-15 6.408706483200001e-16 9.13240673856e-15 ] [ -1.810459581504e-14 1.570133088384e-14 1.92261194496e-15 ] [ -2.531439060864e-14 1.089480102144e-14 -6.889359469440001e-15 ] [ 1.377871893888e-14 -4.32587687616e-15 -1.6021766208e-15 ] [ 2.146916671872e-14 -1.345828361472e-14 7.850665441919999e-15 ] [ -2.4032649312e-15 5.76783583488e-15 -4.005441552e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.129296 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.783109785716296e-18 } }