{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.152008 0.5 0.813629 ] [ 0.847992 0.5 0.186371 ] [ 0.667739 0.5 0.52276 ] [ 0.332261 0.5 0.47724 ] [ 0.652008 0 0.813629 ] [ 0.347992 0 0.186371 ] [ 0.167739 0 0.52276 ] [ 0.832261 0 0.47724 ] [ 0.849514 0 0.06233 ] [ 0.045304 0.5 0.40019 ] [ 0.954696 0.5 0.59981 ] [ 0.676504 0.5 0.720928 ] [ 0.799736 0 0.639738 ] [ 0.200264 0 0.360262 ] [ 0.150486 0 0.93767 ] [ 0.323496 0.5 0.279072 ] [ 0.349514 0.5 0.06233 ] [ 0.545304 0 0.40019 ] [ 0.454696 0 0.59981 ] [ 0.176504 0 0.720928 ] [ 0.299736 0.5 0.639738 ] [ 0.700264 0.5 0.360262 ] [ 0.650486 0.5 0.93767 ] [ 0.823496 0 0.279072 ] ] } "species" { "source-value" [ "K" "K" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 14.2360675541 "source-unit" "angstrom" } "b" { "source-value" 3.20869733678 "source-unit" "angstrom" } "c" { "source-value" 10.5068558068 "source-unit" "angstrom" } "beta" { "source-value" 135.822749877 "source-unit" "degree" } }