{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.673152 0.173152 0.5 ] [ 0.326848 0.826848 0.5 ] [ 0.173152 0.326848 0.5 ] [ 0.826848 0.673152 0.5 ] [ 0.884745 0.384745 0.5 ] [ 0.115255 0.615255 0.5 ] [ 0.384745 0.115255 0.5 ] [ 0.615255 0.884745 0.5 ] [ 0.566914 0.066914 0 ] [ 0.433086 0.933086 0 ] [ 0.066914 0.433086 0 ] [ 0.933086 0.566914 0 ] [ 0.663986 0.699458 0 ] [ 0.336014 0.300542 0 ] [ 0.163986 0.800542 0 ] [ 0.836014 0.199458 0 ] [ 0.300542 0.663986 0 ] [ 0.699458 0.336014 0 ] [ 0.199458 0.163986 0 ] [ 0.800542 0.836014 0 ] [ 0.843834 0.00787 0.5 ] [ 0.156166 0.99213 0.5 ] [ 0.343834 0.49213 0.5 ] [ 0.656166 0.50787 0.5 ] [ 0.99213 0.843834 0.5 ] [ 0.00787 0.156166 0.5 ] [ 0.50787 0.343834 0.5 ] [ 0.49213 0.656166 0.5 ] [ 0.752996 0.019005 0 ] [ 0.247004 0.980995 0 ] [ 0.252996 0.480995 0 ] [ 0.747004 0.519005 0 ] [ 0.980995 0.752996 0 ] [ 0.019005 0.247004 0 ] [ 0.519005 0.252996 0 ] [ 0.480995 0.747004 0 ] ] } "species" { "source-value" [ "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 13.03110334 "source-unit" "angstrom" } "c" { "source-value" 4.31447764 "source-unit" "angstrom" } }