{ "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" [ [ 0.982371 0.052187 0.25 ] [ 0.482371 0.447813 0.75 ] [ 0.517629 0.552187 0.25 ] [ 0.017629 0.947813 0.75 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.639822 0.07181 0.75 ] [ 0.187316 0.190348 0.573817 ] [ 0.187316 0.190348 0.926183 ] [ 0.687316 0.309652 0.426183 ] [ 0.687316 0.309652 0.073817 ] [ 0.139822 0.42819 0.25 ] [ 0.860178 0.57181 0.75 ] [ 0.312684 0.690348 0.926183 ] [ 0.312684 0.690348 0.573817 ] [ 0.812684 0.809652 0.073817 ] [ 0.812684 0.809652 0.426183 ] [ 0.360178 0.92819 0.25 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Er" "Er" "Er" "Er" "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" 5.74318124 "source-unit" "angstrom" } "b" { "source-value" 6.00022688 "source-unit" "angstrom" } "c" { "source-value" 8.42913867 "source-unit" "angstrom" } }