{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/nbm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.25 0.75 0.5 ] [ 0.75 0.25 0.5 ] [ 0.75 0.75 0.5 ] [ 0.25 0.25 0.5 ] [ 0.225964 0.5 0 ] [ 0.5 0.225964 0 ] [ 0.774036 0.5 0 ] [ 0 0.725964 0 ] [ 0.725964 0 0 ] [ 0.274036 0 0 ] [ 0 0.274036 0 ] [ 0.5 0.774036 0 ] [ 0.916564 0.813672 0.256016 ] [ 0.083436 0.186328 0.256016 ] [ 0.186328 0.916564 0.256016 ] [ 0.813672 0.083436 0.256016 ] [ 0.813672 0.916564 0.743984 ] [ 0.916564 0.186328 0.743984 ] [ 0.083436 0.813672 0.743984 ] [ 0.186328 0.083436 0.743984 ] [ 0.583436 0.686328 0.743984 ] [ 0.416564 0.313672 0.743984 ] [ 0.313672 0.583436 0.743984 ] [ 0.686328 0.416564 0.743984 ] [ 0.686328 0.583436 0.256016 ] [ 0.583436 0.313672 0.256016 ] [ 0.620012 0.879988 0.17302 ] [ 0.879988 0.379988 0.17302 ] [ 0.120012 0.620012 0.17302 ] [ 0.379988 0.120012 0.17302 ] [ 0.379988 0.879988 0.82698 ] [ 0.416564 0.686328 0.256016 ] [ 0.879988 0.620012 0.82698 ] [ 0.120012 0.379988 0.82698 ] [ 0.313672 0.416564 0.256016 ] [ 0.620012 0.120012 0.82698 ] ] } "species" { "source-value" [ "Ce" "Ce" "Mn" "Mn" "Mn" "Mn" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 9.98867038 "source-unit" "angstrom" } "c" { "source-value" 4.96901239 "source-unit" "angstrom" } }