{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0.674989 0.174989 0 ] [ 0.825011 0.325011 0.5 ] [ 0.825011 0.674989 0 ] [ 0.174989 0.325011 0 ] [ 0.174989 0.674989 0.5 ] [ 0.325011 0.825011 0 ] [ 0.325011 0.174989 0.5 ] [ 0.674989 0.825011 0.5 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.34486788219 "source-unit" "angstrom" } "c" { "source-value" 7.55154770705 "source-unit" "angstrom" } }