{ "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 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.180537 0.25 ] [ 0 0.819463 0.75 ] [ 0.5 0.680537 0.25 ] [ 0.5 0.319463 0.75 ] [ 0 0.14858 0.75 ] [ 0 0.85142 0.25 ] [ 0.5 0.64858 0.75 ] [ 0.5 0.35142 0.25 ] [ 0.222109 0.962463 0.25 ] [ 0.222109 0.037537 0.75 ] [ 0 0.257191 0.556279 ] [ 0 0.257191 0.943721 ] [ 0 0.742809 0.056279 ] [ 0 0.742809 0.443721 ] [ 0.777891 0.962463 0.25 ] [ 0.777891 0.037537 0.75 ] [ 0.722109 0.462463 0.25 ] [ 0.722109 0.537537 0.75 ] [ 0.5 0.757191 0.556279 ] [ 0.5 0.757191 0.943721 ] [ 0.5 0.242809 0.056279 ] [ 0.5 0.242809 0.443721 ] [ 0.277891 0.462463 0.25 ] [ 0.277891 0.537537 0.75 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "P" "P" "P" "P" "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" 5.63701578 "source-unit" "angstrom" } "b" { "source-value" 8.49756558 "source-unit" "angstrom" } "c" { "source-value" 6.40963665 "source-unit" "angstrom" } }