{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.009493 0.953966 0.25 ] [ 0.509493 0.546034 0.75 ] [ 0.490507 0.453966 0.25 ] [ 0.990507 0.046034 0.75 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.293882 0.708048 0.458862 ] [ 0.793882 0.791952 0.541138 ] [ 0.206118 0.208048 0.041138 ] [ 0.706118 0.291952 0.958862 ] [ 0.706118 0.291952 0.541138 ] [ 0.206118 0.208048 0.458862 ] [ 0.793882 0.791952 0.958862 ] [ 0.293882 0.708048 0.041138 ] [ 0.920594 0.519651 0.25 ] [ 0.420594 0.980349 0.75 ] [ 0.579406 0.019651 0.25 ] [ 0.079406 0.480349 0.75 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Mn" "Mn" "Mn" "Mn" "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" 5.33408731 "source-unit" "angstrom" } "b" { "source-value" 5.4110244 "source-unit" "angstrom" } "c" { "source-value" 7.56921595 "source-unit" "angstrom" } }