{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.582288 0.419106 ] [ 0.75 0.917712 0.919106 ] [ 0.25 0.417712 0.580894 ] [ 0.25 0.082288 0.080894 ] [ 0.75 0.62995 0.18046 ] [ 0.25 0.12995 0.31954 ] [ 0.25 0.37005 0.81954 ] [ 0.75 0.87005 0.68046 ] [ 0.25 0.89007 0.1927 ] [ 0.75 0.89267 0.3893 ] [ 0.75 0.53893 0.555786 ] [ 0.75 0.96107 0.055786 ] [ 0.25 0.46107 0.444214 ] [ 0.75 0.10993 0.8073 ] [ 0.25 0.39267 0.1107 ] [ 0.25 0.03893 0.944214 ] [ 0.25 0.60993 0.6927 ] [ 0.25 0.10733 0.6107 ] [ 0.75 0.39007 0.3073 ] [ 0.75 0.60733 0.8893 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "Cd" "Cd" "Cd" "Cd" "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" 3.64511037 "source-unit" "angstrom" } "b" { "source-value" 5.32889052 "source-unit" "angstrom" } "c" { "source-value" 14.5803354 "source-unit" "angstrom" } }