{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.3288529 1.174724 0.8712814 ] [ 1.395659 1.176494 2.521247 ] [ 2.395391 0.4245255 0.3168768 ] [ 2.017962 2.536207 0.5333854 ] [ 2.744316 1.992854 1.84914 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.288529e-11 1.174724e-10 8.712814e-11 ] [ 1.395659e-10 1.176494e-10 2.521247e-10 ] [ 2.395391e-10 4.245255e-11 3.168768e-11 ] [ 2.017962e-10 2.536207e-10 5.333854e-11 ] [ 2.744316e-10 1.992854e-10 1.84914e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -21.5776102 -4.5127267 -7.6681293 ] [ -12.3299682 -10.5096168 26.4838569 ] [ 7.9324735 -18.2543135 -13.5236202 ] [ -2.7269347 24.2953282 -23.0231536 ] [ 28.7020396 8.9813288 17.7310463 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.457114259517561e-08 -7.230185214799936e-09 -1.228569748973147e-08 ] [ -1.975478678524746e-08 -1.683826233052691e-08 4.243181635379276e-08 ] [ 1.270922358681555e-08 -2.924663431845382e-08 -2.166722811301862e-08 ] [ -4.369031022788263e-09 3.892540683670295e-08 -3.688715843500735e-08 ] [ 4.598573681639579e-08 1.438967502707772e-08 2.840826784418234e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 10.460997 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.676036482365894e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.0572428 1.3364844 0.7419516 ] [ 1.305556 0.7290527 2.7806644 ] [ 2.4407009 0.2485807 0.4503279 ] [ 1.9151256 2.7991613 0.0402077 ] [ 3.1635556 2.1915254 2.0787791 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.72428e-12 1.3364844e-10 7.419516000000001e-11 ] [ 1.305556e-10 7.290527000000001e-11 2.7806644e-10 ] [ 2.4407009e-10 2.485807e-11 4.503279e-11 ] [ 1.9151256e-10 2.7991613e-10 4.02077e-12 ] [ 3.1635556e-10 2.1915254e-10 2.0787791e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.9e-06 1.87e-05 2.31e-05 ] [ 2.16e-05 -1.01e-05 -2.34e-05 ] [ -3.8e-06 -2.32e-05 -8.9e-06 ] [ -6e-06 1.6e-06 -4.84e-05 ] [ -7.9e-06 1.31e-05 5.76e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.24848882112e-15 2.996070280896e-14 3.701027994048e-14 ] [ 3.460701500928e-14 -1.618198387008e-14 -3.749093292672001e-14 ] [ -6.08827115904e-15 -3.717049760256e-14 -1.425937192512e-14 ] [ -9.6130597248e-15 2.56348259328e-15 -7.754534844671999e-14 ] [ -1.265719530432e-14 2.098851373248e-14 9.228537335808e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.901027 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.906754722290956e-18 } }