{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.987632 0.204686 0.25 ] [ 0.748492 0.030722 0.518829 ] [ 0.748492 0.030722 0.981171 ] [ 0.751508 0.530722 0.018829 ] [ 0.751508 0.530722 0.481171 ] [ 0.512368 0.704686 0.75 ] [ 0.487632 0.295314 0.25 ] [ 0.248492 0.469278 0.518829 ] [ 0.248492 0.469278 0.981171 ] [ 0.251508 0.969278 0.018829 ] [ 0.251508 0.969278 0.481171 ] [ 0.012368 0.795314 0.75 ] [ 0.000688 0.252825 0.75 ] [ 0.499312 0.752825 0.25 ] [ 0.500688 0.247175 0.75 ] [ 0.999312 0.747175 0.25 ] [ 0.962932 0.955992 0.123146 ] [ 0.962932 0.955992 0.376854 ] [ 0.958982 0.421448 0.611028 ] [ 0.958982 0.421448 0.888972 ] [ 0.751016 0.65951 0.25 ] [ 0.745614 0.269181 0.115629 ] [ 0.745614 0.269181 0.384371 ] [ 0.754386 0.769181 0.615629 ] [ 0.754386 0.769181 0.884371 ] [ 0.748984 0.15951 0.75 ] [ 0.541018 0.921448 0.111028 ] [ 0.541018 0.921448 0.388972 ] [ 0.537068 0.455992 0.623146 ] [ 0.537068 0.455992 0.876854 ] [ 0.462932 0.544008 0.123146 ] [ 0.462932 0.544008 0.376854 ] [ 0.458982 0.078552 0.611028 ] [ 0.458982 0.078552 0.888972 ] [ 0.251016 0.84049 0.25 ] [ 0.245614 0.230819 0.115629 ] [ 0.245614 0.230819 0.384371 ] [ 0.254386 0.730819 0.615629 ] [ 0.254386 0.730819 0.884371 ] [ 0.248984 0.34049 0.75 ] [ 0.041018 0.578552 0.111028 ] [ 0.041018 0.578552 0.388972 ] [ 0.037068 0.044008 0.623146 ] [ 0.037068 0.044008 0.876854 ] ] } "species" { "source-value" [ "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Ta" "Ta" "Ta" "Ta" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 7.34184523 "source-unit" "angstrom" } "b" { "source-value" 7.41174987 "source-unit" "angstrom" } "c" { "source-value" 10.3990439 "source-unit" "angstrom" } }