{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.488929 0.75 0.220227 ] [ 0.988929 0.25 0.279773 ] [ 0.511071 0.25 0.779773 ] [ 0.011071 0.75 0.720227 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0.927081 0.75 0.404003 ] [ 0.427081 0.25 0.095997 ] [ 0.072919 0.25 0.595997 ] [ 0.572919 0.75 0.904003 ] [ 0.213017 0.458096 0.663362 ] [ 0.713017 0.541904 0.836638 ] [ 0.786983 0.958096 0.336638 ] [ 0.286983 0.041904 0.163362 ] [ 0.786983 0.541904 0.336638 ] [ 0.286983 0.458096 0.163362 ] [ 0.213017 0.041904 0.663362 ] [ 0.713017 0.958096 0.836638 ] [ 0.710487 0.75 0.046341 ] [ 0.210487 0.25 0.453659 ] [ 0.289513 0.25 0.953659 ] [ 0.789513 0.75 0.546341 ] [ 0.242068 0.75 0.906295 ] [ 0.742068 0.25 0.593705 ] [ 0.757932 0.25 0.093705 ] [ 0.257932 0.75 0.406295 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Si" "Si" "Si" "Si" "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" 4.95463685 "source-unit" "angstrom" } "b" { "source-value" 6.34816131 "source-unit" "angstrom" } "c" { "source-value" 10.77210474 "source-unit" "angstrom" } }