{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.753455 ] [ 0.5 0.5 0.246545 ] [ 0.5 0.5 0 ] [ 0 0.5 0.775386 ] [ 0.5 0 0.775386 ] [ 0 0.5 0.224614 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.224614 ] ] } "species" { "source-value" [ "Ba" "Nd" "Mn" "Mn" "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" 3.93982263 "source-unit" "angstrom" } "c" { "source-value" 7.92496385 "source-unit" "angstrom" } }