{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.350826 0.4418416 2.50309 ] [ 1.033244 1.643774 1.864586 ] [ 1.591632 0.5864069 0.4139953 ] [ 2.819906 0.5589855 2.733529 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.350826e-10 4.418416e-11 2.50309e-10 ] [ 1.033244e-10 1.643774e-10 1.864586e-10 ] [ 1.591632e-10 5.864069e-11 4.139953e-11 ] [ 2.819906e-10 5.589855000000001e-11 2.733529e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -37.6823465 -46.9460939 18.9157983 ] [ -16.1941058 49.9870365 -15.0219867 ] [ 3.5984711 -5.9336299 -12.5037821 ] [ 50.2779812 2.8926873 8.6099704 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.03737745791847e-08 -7.52159340844615e-08 3.030644980002838e-08 ] [ -2.594581770752168e-08 8.008806122337626e-08 -2.406787588870854e-08 ] [ 5.765386267044458e-09 -9.506723102259842e-09 -2.003326735219753e-08 ] [ 8.055420601966193e-08 4.634595963345075e-09 1.379469328066002e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 19.781567 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.169356417018879e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8510021 -0.1313122 2.619172 ] [ 1.1079735 2.1481277 1.9346398 ] [ 1.8010629 0.3765965 0.481446 ] [ 3.0355695 0.8375959 2.4799426 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.510021e-11 -1.313122e-11 2.619172e-10 ] [ 1.1079735e-10 2.1481277e-10 1.9346398e-10 ] [ 1.8010629e-10 3.765965e-11 4.81446e-11 ] [ 3.0355695e-10 8.375959e-11 2.4799426e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5e-06 -2.17e-05 2.43e-05 ] [ -1.1e-05 3.83e-05 2.5e-06 ] [ 2.1e-05 -5.8e-06 -1.72e-05 ] [ -5e-06 -1.08e-05 -9.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.010883104e-15 -3.476723267136e-14 3.893289188544e-14 ] [ -1.76239428288e-14 6.136336457664001e-14 4.005441552e-15 ] [ 3.36457090368e-14 -9.292624400640001e-15 -2.755743787776e-14 ] [ -8.010883104e-15 -1.730350750464e-14 -1.538089555968e-14 ] ] } "relaxed-potential-energy" { "source-value" -9.4365984 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.511909733635869e-18 } }