{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0.343145 0.156855 0.863041 ] [ 0.156855 0.656855 0.863041 ] [ 0.843145 0.343145 0.863041 ] [ 0.843145 0.343145 0.136959 ] [ 0.656855 0.843145 0.863041 ] [ 0.656855 0.843145 0.136959 ] [ 0.343145 0.156855 0.136959 ] [ 0.156855 0.656855 0.136959 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.843145 0.656855 0.363041 ] [ 0.656855 0.156855 0.363041 ] [ 0.343145 0.843145 0.363041 ] [ 0.343145 0.843145 0.636959 ] [ 0.156855 0.343145 0.363041 ] [ 0.156855 0.343145 0.636959 ] [ 0.843145 0.656855 0.636959 ] [ 0.656855 0.156855 0.636959 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.36875 0.86875 0 ] [ 0.13125 0.36875 0 ] [ 0.63125 0.13125 0 ] [ 0.86875 0.63125 0 ] [ 0.86875 0.36875 0.5 ] [ 0.63125 0.86875 0.5 ] [ 0.13125 0.63125 0.5 ] [ 0.36875 0.13125 0.5 ] [ 0.5 0.5 0.75 ] [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.5 0.5 0.25 ] ] } "species" { "source-value" [ "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Sb" "Sb" "Sb" "Sb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.58245254718 "source-unit" "angstrom" } "c" { "source-value" 13.3470521443 "source-unit" "angstrom" } }