{ "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" [ [ 0.017124 0.936424 0.75 ] [ 0.482876 0.436424 0.75 ] [ 0.517124 0.563576 0.25 ] [ 0.982876 0.063576 0.25 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0.102102 0.46717 0.25 ] [ 0.198775 0.200364 0.552919 ] [ 0.198775 0.200364 0.947081 ] [ 0.301225 0.700364 0.947081 ] [ 0.301225 0.700364 0.552919 ] [ 0.397898 0.96717 0.25 ] [ 0.602102 0.03283 0.75 ] [ 0.698775 0.299636 0.052919 ] [ 0.698775 0.299636 0.447081 ] [ 0.801225 0.799636 0.052919 ] [ 0.801225 0.799636 0.447081 ] [ 0.897898 0.53283 0.75 ] ] } "species" { "source-value" [ "Lu" "Lu" "Lu" "Lu" "Al" "Al" "Al" "Al" "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" 5.11999626 "source-unit" "angstrom" } "b" { "source-value" 5.36178661 "source-unit" "angstrom" } "c" { "source-value" 7.36044027 "source-unit" "angstrom" } }