{ "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 0 0 ] [ 0.5 0.5 0 ] [ 0.825325 0.325325 0 ] [ 0.325325 0.174675 0 ] [ 0.674675 0.825325 0 ] [ 0.174675 0.674675 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0.070813 0.220535 0.5 ] [ 0.220535 0.929187 0.5 ] [ 0.779465 0.070813 0.5 ] [ 0.929187 0.779465 0.5 ] [ 0.429187 0.720535 0.5 ] [ 0.570813 0.279465 0.5 ] [ 0.720535 0.570813 0.5 ] [ 0.279465 0.429187 0.5 ] [ 0.62011 0.12011 0 ] [ 0.12011 0.37989 0 ] [ 0.87989 0.62011 0 ] [ 0.37989 0.87989 0 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.43748056 "source-unit" "angstrom" } "c" { "source-value" 3.05790714 "source-unit" "angstrom" } }