{ "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" [ [ 0.338955 0.161045 0 ] [ 0.661045 0.838955 0 ] [ 0.161045 0.661045 0 ] [ 0.838955 0.338955 0 ] [ 0.924764 0.787351 0.5 ] [ 0.712649 0.575236 0.5 ] [ 0.424764 0.712649 0.5 ] [ 0.287351 0.424764 0.5 ] [ 0.575236 0.287351 0.5 ] [ 0.787351 0.075236 0.5 ] [ 0.075236 0.212649 0.5 ] [ 0.212649 0.924764 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.442018 0.942018 0.5 ] [ 0.057982 0.442018 0.5 ] [ 0.942018 0.557982 0.5 ] [ 0.5 0.5 0.5 ] [ 0.557982 0.057982 0.5 ] [ 0 0 0.5 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.31046322 "source-unit" "angstrom" } "c" { "source-value" 4.01866854 "source-unit" "angstrom" } }