{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0.863446 ] [ 0.5 0.5 0.136554 ] [ 0 0 0.363446 ] [ 0 0 0.636554 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0 0 0.822774 ] [ 0 0 0.177226 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.322774 ] [ 0.5 0.5 0.677226 ] ] } "species" { "source-value" [ "Li" "Li" "La" "La" "La" "La" "H" "H" "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" 3.58169561964 "source-unit" "angstrom" } "b" { "source-value" 3.7983946994 "source-unit" "angstrom" } "c" { "source-value" 12.9305751361 "source-unit" "angstrom" } }