{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.854896 0.5 ] [ 0.5 0.145104 0.5 ] [ 0 0.354896 0.5 ] [ 0 0.645104 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0 0.793927 0 ] [ 0 0.206073 0 ] [ 0.5 0.293927 0 ] [ 0.5 0.706073 0 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Al" "Al" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 2.89648962 "source-unit" "angstrom" } "b" { "source-value" 11.08203211 "source-unit" "angstrom" } "c" { "source-value" 2.83371301 "source-unit" "angstrom" } }