{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.980133 0.062008 0.75 ] [ 0.480133 0.437992 0.25 ] [ 0.519867 0.562008 0.75 ] [ 0.019867 0.937992 0.25 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.692011 0.305585 0.567275 ] [ 0.192011 0.194415 0.432725 ] [ 0.807989 0.805585 0.932725 ] [ 0.307989 0.694415 0.067275 ] [ 0.307989 0.694415 0.432725 ] [ 0.807989 0.805585 0.567275 ] [ 0.192011 0.194415 0.067275 ] [ 0.692011 0.305585 0.932725 ] [ 0.871692 0.555109 0.25 ] [ 0.371692 0.944891 0.75 ] [ 0.628308 0.055109 0.25 ] [ 0.128308 0.444891 0.75 ] ] } "species" { "source-value" [ "Tb" "Tb" "Tb" "Tb" "Sc" "Sc" "Sc" "Sc" "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" 5.47333836 "source-unit" "angstrom" } "b" { "source-value" 5.76330385 "source-unit" "angstrom" } "c" { "source-value" 7.99952716 "source-unit" "angstrom" } }