{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.889035 0.75 ] [ 0 0.110965 0.25 ] [ 0.5 0.389035 0.75 ] [ 0.5 0.610965 0.25 ] [ 0.5 0.132147 0.57488 ] [ 0.5 0.132147 0.92512 ] [ 0.5 0.867853 0.42512 ] [ 0.5 0.867853 0.07488 ] [ 0 0.632147 0.57488 ] [ 0 0.632147 0.92512 ] [ 0 0.367853 0.42512 ] [ 0 0.367853 0.07488 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.233262 0.386032 ] [ 0.5 0.028783 0.75 ] [ 0.5 0.971217 0.25 ] [ 0.5 0.766738 0.613968 ] [ 0.5 0.233262 0.113968 ] [ 0.5 0.766738 0.886032 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0.733262 0.386032 ] [ 0 0.528783 0.75 ] [ 0 0.471217 0.25 ] [ 0 0.266738 0.613968 ] [ 0 0.733262 0.113968 ] [ 0 0.266738 0.886032 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 3.37054458 "source-unit" "angstrom" } "b" { "source-value" 11.24911996 "source-unit" "angstrom" } "c" { "source-value" 11.06238319 "source-unit" "angstrom" } }