{ "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 0.513628 0.315221 ] [ 0.75 0.013628 0.184779 ] [ 0.25 0.486372 0.684779 ] [ 0.25 0.986372 0.815221 ] [ 0.75 0.146371 0.575087 ] [ 0.25 0.853629 0.424913 ] [ 0.25 0.353629 0.075087 ] [ 0.75 0.646371 0.924913 ] [ 0.75 0.779258 0.604971 ] [ 0.25 0.220742 0.395029 ] [ 0.75 0.279258 0.895029 ] [ 0.25 0.720742 0.104971 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Na" "Na" "Na" "Na" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.85415511 "source-unit" "angstrom" } "b" { "source-value" 8.14135479 "source-unit" "angstrom" } "c" { "source-value" 8.7792074 "source-unit" "angstrom" } }