{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/nmc" } "basis-atom-coordinates" { "source-value" [ [ 0.71198 0.71198 0.5 ] [ 0.71198 0.28802 0.5 ] [ 0.5 0 0.588338 ] [ 0.5 0 0.088338 ] [ 0.28802 0.71198 0.5 ] [ 0.28802 0.28802 0.5 ] [ 0.21198 0.21198 0 ] [ 0.21198 0.78802 0 ] [ 0 0.5 0.911662 ] [ 0 0.5 0.411662 ] [ 0.78802 0.21198 0 ] [ 0.78802 0.78802 0 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.755754 0 0.323012 ] [ 0.5 0.255754 0.823012 ] [ 0.5 0.744246 0.823012 ] [ 0.244246 0 0.323012 ] [ 0.255754 0.5 0.176988 ] [ 0 0.244246 0.676988 ] [ 0 0.755754 0.676988 ] [ 0.744246 0.5 0.176988 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Ni" "Ni" "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" 7.46914587 "source-unit" "angstrom" } "c" { "source-value" 5.41928013 "source-unit" "angstrom" } }