{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.194083 0.862997 ] [ 0.5 0.805917 0.137003 ] [ 0.5 0.694083 0.637003 ] [ 0.5 0.305917 0.362997 ] [ 0 0.203785 0.604957 ] [ 0 0.796215 0.395043 ] [ 0 0.703785 0.895043 ] [ 0 0.296215 0.104957 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0 0.416903 0.790679 ] [ 0 0.583097 0.209321 ] [ 0 0.916903 0.709321 ] [ 0 0.083097 0.290679 ] [ 0.5 0.214222 0.604138 ] [ 0.5 0.785778 0.395862 ] [ 0.5 0.285778 0.104138 ] [ 0.5 0.714222 0.895862 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "Cu" "Cu" "Cu" "Cu" "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" 3.92537353 "source-unit" "angstrom" } "b" { "source-value" 5.48569665 "source-unit" "angstrom" } "c" { "source-value" 10.54424827 "source-unit" "angstrom" } }