{ "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" [ [ 0.539948 0.170096 0.902599 ] [ 0.039948 0.329904 0.097401 ] [ 0.960052 0.670096 0.597401 ] [ 0.460052 0.829904 0.402599 ] [ 0.460052 0.829904 0.097401 ] [ 0.960052 0.670096 0.902599 ] [ 0.039948 0.329904 0.402599 ] [ 0.539948 0.170096 0.597401 ] [ 0.955342 0.234513 0.75 ] [ 0.455342 0.265487 0.25 ] [ 0.544658 0.734513 0.75 ] [ 0.044658 0.765487 0.25 ] [ 0.703821 0.458825 0.668832 ] [ 0.203821 0.041175 0.168832 ] [ 0.703821 0.458825 0.831168 ] [ 0.296179 0.541175 0.331168 ] [ 0.796179 0.958825 0.668832 ] [ 0.796179 0.958825 0.831168 ] [ 0.296179 0.541175 0.168832 ] [ 0.203821 0.041175 0.331168 ] [ 0.821201 0.663278 0.37537 ] [ 0.321201 0.836722 0.62463 ] [ 0.678799 0.163278 0.12463 ] [ 0.178799 0.336722 0.87537 ] [ 0.821201 0.663278 0.12463 ] [ 0.147214 0.6036 0.75 ] [ 0.321201 0.836722 0.87537 ] [ 0.678799 0.163278 0.37537 ] [ 0.178799 0.336722 0.62463 ] [ 0.852786 0.3964 0.25 ] [ 0.352786 0.1036 0.75 ] [ 0.647214 0.8964 0.25 ] [ 0.288052 0.121915 0.484738 ] [ 0.788052 0.378085 0.515262 ] [ 0.211948 0.621915 0.015262 ] [ 0.711948 0.878085 0.984738 ] [ 0.711948 0.878085 0.515262 ] [ 0.211948 0.621915 0.484738 ] [ 0.788052 0.378085 0.984738 ] [ 0.288052 0.121915 0.015262 ] ] } "species" { "source-value" [ "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.26272845 "source-unit" "angstrom" } "b" { "source-value" 5.5247623 "source-unit" "angstrom" } "c" { "source-value" 16.99258711 "source-unit" "angstrom" } }