{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.203156 0.5 0.617087 ] [ 0.79882 0.5 0.881895 ] [ 0.796844 0.5 0.382913 ] [ 0.20118 0.5 0.118105 ] [ 0.703156 0 0.617087 ] [ 0.29882 0 0.881895 ] [ 0.296844 0 0.382913 ] [ 0.70118 0 0.118105 ] [ 0.893433 0 0.648166 ] [ 0.089051 0.5 0.845373 ] [ 0.910949 0.5 0.154627 ] [ 0.106567 0 0.351834 ] [ 0.393433 0.5 0.648166 ] [ 0.589051 0 0.845373 ] [ 0.410949 0 0.154627 ] [ 0.606567 0.5 0.351834 ] [ 0.755216 0 0.371917 ] [ 0.244954 0 0.120163 ] [ 0.244784 0 0.628083 ] [ 0.755046 0 0.879837 ] [ 0.255216 0.5 0.371917 ] [ 0.744954 0.5 0.120163 ] [ 0.744784 0.5 0.628083 ] [ 0.255046 0.5 0.879837 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "I" "I" "I" "I" "I" "I" "I" "I" "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" 20.138137241 "source-unit" "angstrom" } "b" { "source-value" 3.89111084959 "source-unit" "angstrom" } "c" { "source-value" 7.26309953013 "source-unit" "angstrom" } "beta" { "source-value" 93.226974034 "source-unit" "degree" } }