{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imma" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.75 0.25 ] [ 0.75 0.75 0.25 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.75 ] [ 0.813595 0.75 0.477293 ] [ 0.186405 0.75 0.477293 ] [ 0 0.992348 0.219786 ] [ 0 0.507652 0.219786 ] [ 0.5 0.992348 0.280214 ] [ 0.313595 0.75 0.022707 ] [ 0.5 0.507652 0.280214 ] [ 0.686405 0.75 0.022707 ] [ 0.313595 0.25 0.977293 ] [ 0.686405 0.25 0.977293 ] [ 0.5 0.492348 0.719786 ] [ 0.5 0.007652 0.719786 ] [ 0 0.492348 0.780214 ] [ 0.813595 0.25 0.522707 ] [ 0 0.007652 0.780214 ] [ 0.186405 0.25 0.522707 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.70694236 "source-unit" "angstrom" } "b" { "source-value" 9.09906921 "source-unit" "angstrom" } "c" { "source-value" 13.47357581 "source-unit" "angstrom" } }