{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.097782 0.303004 0.5 ] [ 0.303004 0.902218 0.5 ] [ 0.696996 0.097782 0.5 ] [ 0.902218 0.696996 0.5 ] [ 0.597782 0.803004 0 ] [ 0.803004 0.402218 0 ] [ 0.196996 0.597782 0 ] [ 0.402218 0.196996 0 ] ] } "species" { "source-value" [ "Lu" "Lu" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.80640498774 "source-unit" "angstrom" } "c" { "source-value" 4.15472738719 "source-unit" "angstrom" } }