{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.78301 0.5 ] [ 0.352406 0 0 ] [ 0 0.352406 0 ] [ 0 0.647594 0 ] [ 0.21699 0 0.5 ] [ 0.25 0.25 0.75 ] [ 0 0.21699 0.5 ] [ 0.647594 0 0 ] [ 0.78301 0 0.5 ] [ 0.25 0.75 0.75 ] [ 0.25 0.75 0.25 ] [ 0.25 0.25 0.25 ] [ 0.5 0.28301 0 ] [ 0.852406 0.5 0.5 ] [ 0.5 0.852406 0.5 ] [ 0.5 0.147594 0.5 ] [ 0.71699 0.5 0 ] [ 0.75 0.75 0.25 ] [ 0.5 0.71699 0 ] [ 0.147594 0.5 0.5 ] [ 0.28301 0.5 0 ] [ 0.75 0.25 0.25 ] [ 0.75 0.25 0.75 ] [ 0.75 0.75 0.75 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Nb" "Nb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.32004713009 "source-unit" "angstrom" } "c" { "source-value" 4.21303830091 "source-unit" "angstrom" } }