{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.180667 ] [ 0.5 0.5 0.819333 ] [ 0.5 0.5 0.5 ] [ 0 0 0.648414 ] [ 0 0 0.351586 ] [ 0 0 0 ] [ 0 0 0.841048 ] [ 0 0 0.158952 ] [ 0 0.5 0.623477 ] [ 0 0.5 0.376523 ] [ 0.5 0 0.624063 ] [ 0.5 0 0.375937 ] [ 0 0.5 0 ] ] } "species" { "source-value" [ "Ba" "Ba" "Gd" "Cu" "Cu" "Cu" "O" "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" 3.86602704 "source-unit" "angstrom" } "b" { "source-value" 3.93001539 "source-unit" "angstrom" } "c" { "source-value" 11.83802024 "source-unit" "angstrom" } }