{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.24727 0.483269 0.233807 ] [ 0.24727 0.016731 0.233807 ] [ 0.75273 0.516731 0.766193 ] [ 0.75273 0.983269 0.766193 ] [ 0.775784 0.75 0.360929 ] [ 0.224216 0.25 0.639071 ] [ 0.717799 0.25 0.43315 ] [ 0.282201 0.75 0.56685 ] [ 0.729673 0.75 0.096895 ] [ 0.270327 0.25 0.903105 ] [ 0.297037 0.25 0.030177 ] [ 0.935108 0.75 0.160495 ] [ 0.552364 0.75 0.182998 ] [ 0.762467 0.064228 0.348815 ] [ 0.762467 0.435772 0.348815 ] [ 0.118065 0.75 0.437312 ] [ 0.45659 0.25 0.47958 ] [ 0.54341 0.75 0.52042 ] [ 0.881935 0.25 0.562688 ] [ 0.237533 0.564228 0.651185 ] [ 0.237533 0.935772 0.651185 ] [ 0.447636 0.25 0.817002 ] [ 0.064892 0.25 0.839505 ] [ 0.702963 0.75 0.969823 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Sc" "Sc" "P" "P" "C" "C" "O" "O" "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" 5.72284425 "source-unit" "angstrom" } "b" { "source-value" 6.91103746 "source-unit" "angstrom" } "c" { "source-value" 9.78340347 "source-unit" "angstrom" } "beta" { "source-value" 90.98431941 "source-unit" "degree" } }