{ "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" [ [ 0.016292 0.927917 0.75 ] [ 0.516292 0.572083 0.25 ] [ 0.483708 0.427917 0.75 ] [ 0.983708 0.072083 0.25 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.712498 0.316384 0.45111 ] [ 0.212498 0.183616 0.54889 ] [ 0.787502 0.816384 0.04889 ] [ 0.287502 0.683616 0.95111 ] [ 0.287502 0.683616 0.54889 ] [ 0.787502 0.816384 0.45111 ] [ 0.212498 0.183616 0.95111 ] [ 0.712498 0.316384 0.04889 ] [ 0.097924 0.47243 0.25 ] [ 0.597924 0.02757 0.75 ] [ 0.902076 0.52757 0.75 ] [ 0.402076 0.97243 0.25 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "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" 5.48601368 "source-unit" "angstrom" } "b" { "source-value" 5.91686627 "source-unit" "angstrom" } "c" { "source-value" 7.67666404 "source-unit" "angstrom" } }