{ "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" [ [ 0.392911 0 0.228293 ] [ 0.607089 0 0.771707 ] [ 0.892911 0.5 0.228293 ] [ 0.107089 0.5 0.771707 ] [ 0 0 0.5 ] [ 0.873515 0.16586 0.156409 ] [ 0.126485 0.16586 0.843591 ] [ 0.126485 0.83414 0.843591 ] [ 0.873515 0.83414 0.156409 ] [ 0.75 0.25 0.5 ] [ 0.25 0.25 0.5 ] [ 0.5 0.5 0.5 ] [ 0.373515 0.66586 0.156409 ] [ 0.626485 0.66586 0.843591 ] [ 0.626485 0.33414 0.843591 ] [ 0.373515 0.33414 0.156409 ] [ 0.25 0.75 0.5 ] [ 0.75 0.75 0.5 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.69122839242 "source-unit" "angstrom" } "b" { "source-value" 8.2317446 "source-unit" "angstrom" } "c" { "source-value" 6.28948952597 "source-unit" "angstrom" } "beta" { "source-value" 106.054172524 "source-unit" "degree" } }