{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.156297 0.584267 ] [ 0.25 0.343703 0.084267 ] [ 0.25 0.843703 0.415733 ] [ 0.75 0.656297 0.915733 ] [ 0.25 0.500755 0.691708 ] [ 0.25 0.000755 0.808292 ] [ 0.75 0.999245 0.191708 ] [ 0.75 0.499245 0.308292 ] [ 0.25 0.770269 0.085824 ] [ 0.75 0.229731 0.914176 ] [ 0.25 0.270269 0.414176 ] [ 0.75 0.729731 0.585824 ] [ 0.971061 0.291022 0.841523 ] [ 0.471061 0.708978 0.158477 ] [ 0.528939 0.791022 0.658477 ] [ 0.028939 0.208978 0.341523 ] [ 0.028939 0.708978 0.158477 ] [ 0.528939 0.291022 0.841523 ] [ 0.471061 0.208978 0.341523 ] [ 0.971061 0.791022 0.658477 ] [ 0.25 0.966708 0.081482 ] [ 0.75 0.033292 0.918518 ] [ 0.25 0.466708 0.418518 ] [ 0.75 0.533292 0.581482 ] [ 0.75 0.800313 0.443141 ] [ 0.25 0.199687 0.556859 ] [ 0.75 0.300313 0.056859 ] [ 0.25 0.699687 0.943141 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Ba" "Ba" "Ba" "Ba" "P" "P" "P" "P" "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" 5.80588131 "source-unit" "angstrom" } "b" { "source-value" 7.94987622 "source-unit" "angstrom" } "c" { "source-value" 10.26222749 "source-unit" "angstrom" } }