{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.22407 0.890503 0.25 ] [ 0.22407 0.109497 0.75 ] [ 0 0.600155 0.25 ] [ 0 0.399845 0.75 ] [ 0.77593 0.890503 0.25 ] [ 0.77593 0.109497 0.75 ] [ 0.72407 0.390503 0.25 ] [ 0.72407 0.609497 0.75 ] [ 0.5 0.100155 0.25 ] [ 0.5 0.899845 0.75 ] [ 0.27593 0.390503 0.25 ] [ 0.27593 0.609497 0.75 ] [ 0 0.197294 0.25 ] [ 0 0.802706 0.75 ] [ 0.5 0.697294 0.25 ] [ 0.5 0.302706 0.75 ] [ 0.190866 0.876932 0.75 ] [ 0.190866 0.123068 0.25 ] [ 0 0.372602 0.25 ] [ 0 0.627398 0.75 ] [ 0.809134 0.123068 0.25 ] [ 0.809134 0.876932 0.75 ] [ 0.690866 0.376932 0.75 ] [ 0.690866 0.623068 0.25 ] [ 0.5 0.872602 0.25 ] [ 0.5 0.127398 0.75 ] [ 0.309134 0.623068 0.25 ] [ 0.309134 0.376932 0.75 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Co" "Co" "Co" "Co" "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" 8.38008326 "source-unit" "angstrom" } "b" { "source-value" 10.26596676 "source-unit" "angstrom" } "c" { "source-value" 4.77971878 "source-unit" "angstrom" } }