{ "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" [ [ 0.014738 0.931688 0.75 ] [ 0.514738 0.568312 0.25 ] [ 0.485262 0.431688 0.75 ] [ 0.985262 0.068312 0.25 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.715491 0.313371 0.453291 ] [ 0.215491 0.186629 0.546709 ] [ 0.784509 0.813371 0.046709 ] [ 0.284509 0.686629 0.953291 ] [ 0.284509 0.686629 0.546709 ] [ 0.784509 0.813371 0.453291 ] [ 0.215491 0.186629 0.953291 ] [ 0.715491 0.313371 0.046709 ] [ 0.092442 0.475668 0.25 ] [ 0.592442 0.024332 0.75 ] [ 0.407558 0.975668 0.25 ] [ 0.907558 0.524332 0.75 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Mn" "Mn" "Mn" "Mn" "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" 5.52176208 "source-unit" "angstrom" } "b" { "source-value" 5.90961222 "source-unit" "angstrom" } "c" { "source-value" 7.71697533 "source-unit" "angstrom" } }