{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.986545 0 0.973299 ] [ 0.486545 0.5 0.973299 ] [ 0.252012 0 0.736037 ] [ 0.752012 0.5 0.736037 ] [ 0.500774 0 0.484941 ] [ 0.000774 0.5 0.484941 ] [ 0.126979 0.751141 0.559872 ] [ 0.328555 0 0.11093 ] [ 0.126979 0.248859 0.559872 ] [ 0.427157 0 0.714347 ] [ 0.626979 0.251141 0.559872 ] [ 0.828555 0.5 0.11093 ] [ 0.626979 0.748859 0.559872 ] [ 0.927157 0.5 0.714347 ] ] } "species" { "source-value" [ "Ba" "Ba" "Be" "Be" "Si" "Si" "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" 8.94325798529 "source-unit" "angstrom" } "b" { "source-value" 5.28077603902 "source-unit" "angstrom" } "c" { "source-value" 5.12008961815 "source-unit" "angstrom" } "beta" { "source-value" 124.692018858 "source-unit" "degree" } }