{ "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" [ [ 0.812154 0.5 0.284459 ] [ 0 0 0.5 ] [ 0.687846 0 0.715541 ] [ 0.312154 0 0.284459 ] [ 0.5 0.5 0.5 ] [ 0.187846 0.5 0.715541 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.84563 0.5 0.777142 ] [ 0.65437 0 0.222858 ] [ 0.34563 0 0.777142 ] [ 0.15437 0.5 0.222858 ] [ 0.749672 0 0.401611 ] [ 0.750328 0.5 0.598389 ] [ 0.546967 0.770887 0.220741 ] [ 0.453033 0.770887 0.779259 ] [ 0.953033 0.729113 0.779259 ] [ 0.046967 0.729113 0.220741 ] [ 0.755977 0 0.045311 ] [ 0.744023 0.5 0.954689 ] [ 0.249672 0.5 0.401611 ] [ 0.250328 0 0.598389 ] [ 0.046967 0.270887 0.220741 ] [ 0.953033 0.270887 0.779259 ] [ 0.453033 0.229113 0.779259 ] [ 0.546967 0.229113 0.220741 ] [ 0.255977 0.5 0.045311 ] [ 0.244023 0 0.954689 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "In" "In" "P" "P" "P" "P" "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" 8.77266075064 "source-unit" "angstrom" } "b" { "source-value" 5.53642593 "source-unit" "angstrom" } "c" { "source-value" 7.1309677531 "source-unit" "angstrom" } "beta" { "source-value" 90.2602532595 "source-unit" "degree" } }