{ "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" [ [ 2.875077 1.739271 0.5500127 ] [ 2.247142 4.095662 1.890424 ] [ 4.370849 2.938246 1.693427 ] [ 3.902852 1.049683 3.036341 ] [ 5.923496 0.662055 4.457524 ] [ 5.031061 2.817229 4.209838 ] [ 4.680107 5.055758 2.976326 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.875077e-10 1.739271e-10 5.500127000000001e-11 ] [ 2.247142e-10 4.095662e-10 1.890424e-10 ] [ 4.370849e-10 2.938246e-10 1.693427e-10 ] [ 3.902852e-10 1.049683e-10 3.036341e-10 ] [ 5.923496e-10 6.62055e-11 4.457524e-10 ] [ 5.031061e-10 2.817229e-10 4.209838000000001e-10 ] [ 4.680106999999999e-10 5.055758e-10 2.976326e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.3319853 -0.3500589 -0.0598878 ] [ 1.508868 0.0387255 0.1081044 ] [ 1.4104871 1.5072629 0.125307 ] [ -0.1780779 -1.2420524 -0.1331335 ] [ -0.3778757 -0.0307275 -0.3622325 ] [ 0.3311044 1.7549587 0.4628178 ] [ -1.3625206 -1.6781083 -0.1409752 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.134075706909274e-09 -5.608561854829651e-10 -9.595083303114623e-11 ] [ 2.417473033473254e-09 6.20450907287904e-11 1.732023422856115e-10 ] [ 2.259849455559992e-09 2.414901379779208e-09 2.007639458225856e-10 ] [ -2.853122480611604e-10 -1.98998731708853e-09 -2.133033811452768e-10 ] [ -6.054236121084346e-10 -4.9230882115632e-11 -5.803604427939361e-10 ] [ 5.304877287240116e-10 2.811753799609561e-09 7.415158588500903e-10 ] [ -2.182998650678389e-09 -2.688625885430433e-09 -2.258671695526041e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -18.031668 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.88899169036275e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.0857587 1.9864834 1.184058 ] [ 2.3349976 3.9451814 2.1400146 ] [ 5.291532 2.7643819 1.5562039 ] [ 3.4597953 0.4228011 2.836022 ] [ 5.4388758 1.4066892 3.49115 ] [ 4.9810214 3.2932223 4.7342749 ] [ 4.4386031 4.5391448 2.8721692 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.0857587e-10 1.9864834e-10 1.184058e-10 ] [ 2.3349976e-10 3.9451814e-10 2.1400146e-10 ] [ 5.291532000000001e-10 2.7643819e-10 1.5562039e-10 ] [ 3.4597953e-10 4.228011e-11 2.836022e-10 ] [ 5.4388758e-10 1.4066892e-10 3.49115e-10 ] [ 4.981021400000001e-10 3.2932223e-10 4.7342749e-10 ] [ 4.4386031e-10 4.5391448e-10 2.8721692e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.2e-06 3.7e-06 1.62e-05 ] [ 3.61e-05 -5.5e-06 2.2e-06 ] [ 2.31e-05 -1.1e-05 -2.33e-05 ] [ -1.64e-05 2.07e-05 1.22e-05 ] [ 4.4e-06 1.63e-05 1.5e-06 ] [ 2.4e-06 -3.85e-05 -5e-06 ] [ -5.59e-05 1.44e-05 -3.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.93349504896e-15 5.928053496960001e-15 2.595526125696e-14 ] [ 5.783857601088001e-14 -8.8119714144e-15 3.52478856576e-15 ] [ 3.701027994048e-14 -1.76239428288e-14 -3.733071526464e-14 ] [ -2.627569658112e-14 3.316505605055999e-14 1.954655477376e-14 ] [ 7.04957713152e-15 2.611547891904e-14 2.4032649312e-15 ] [ 3.84522388992e-15 -6.16837999008e-14 -8.010883104e-15 ] [ -8.956167310272e-14 2.307134333952e-14 -6.08827115904e-15 ] ] } "relaxed-potential-energy" { "source-value" -22.73491 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.642534127799213e-18 } }