{ "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" [ [ 0.110289 0.5 0.825767 ] [ 0.889711 0.5 0.174233 ] [ 0.610289 0 0.825767 ] [ 0.389711 0 0.174233 ] [ 0.842974 0 0.673913 ] [ 0.157026 0 0.326087 ] [ 0.342974 0.5 0.673913 ] [ 0.657026 0.5 0.326087 ] [ 0.248042 0 0.734464 ] [ 0.751958 0 0.265536 ] [ 0 0 0 ] [ 0.748042 0.5 0.734464 ] [ 0.251958 0.5 0.265536 ] [ 0.5 0.5 0 ] ] } "species" { "source-value" [ "Ho" "Ho" "Ho" "Ho" "Mo" "Mo" "Mo" "Mo" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 11.7036383285 "source-unit" "angstrom" } "b" { "source-value" 3.33926263114 "source-unit" "angstrom" } "c" { "source-value" 5.71005653557 "source-unit" "angstrom" } "beta" { "source-value" 112.173363821 "source-unit" "degree" } }