{ "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" [ [ 0.130083 0 0.155756 ] [ 0.208327 0 0.915108 ] [ 0.911646 0.5 0.199017 ] [ 0.912411 0.5 0.633226 ] [ 0.869917 0 0.844244 ] [ 0.759016 0.5 0.615042 ] [ 0.91479 0 0.430802 ] [ 0.087589 0.5 0.366774 ] [ 0 0.5 0 ] [ 0.088354 0.5 0.800983 ] [ 0.240984 0.5 0.384958 ] [ 0.791673 0 0.084892 ] [ 0.08521 0 0.569198 ] [ 0.630083 0.5 0.155756 ] [ 0.708327 0.5 0.915108 ] [ 0.411646 0 0.199017 ] [ 0.412411 0 0.633226 ] [ 0.369917 0.5 0.844244 ] [ 0.259016 0 0.615042 ] [ 0.41479 0.5 0.430802 ] [ 0.587589 0 0.366774 ] [ 0.5 0 0 ] [ 0.588354 0 0.800983 ] [ 0.740984 0 0.384958 ] [ 0.291673 0.5 0.084892 ] [ 0.58521 0.5 0.569198 ] [ 0.991722 0 0.195737 ] [ 0.205801 0.5 0.708442 ] [ 0.008278 0 0.804263 ] [ 0.794199 0.5 0.291558 ] [ 0.491722 0.5 0.195737 ] [ 0.705801 0 0.708442 ] [ 0.508278 0.5 0.804263 ] [ 0.294199 0 0.291558 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 17.7107300928 "source-unit" "angstrom" } "b" { "source-value" 4.24135212565 "source-unit" "angstrom" } "c" { "source-value" 7.81811287064 "source-unit" "angstrom" } "beta" { "source-value" 115.824973583 "source-unit" "degree" } }