{ "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" [ [ 0.334317 0.75 0.583066 ] [ 0.084541 0.25 0.249275 ] [ 0.665683 0.25 0.416934 ] [ 0.915459 0.75 0.750725 ] [ 0.746636 0.75 0.166413 ] [ 0.253364 0.25 0.833587 ] [ 0.328778 0.75 0.166901 ] [ 0.671222 0.25 0.833099 ] [ 0.306282 0.75 0.986169 ] [ 0.170293 0.75 0.189855 ] [ 0.509692 0.75 0.324836 ] [ 0.693718 0.25 0.013831 ] [ 0.829707 0.25 0.810145 ] [ 0.490308 0.25 0.675164 ] [ 0 0 0.5 ] [ 0 0.5 0.5 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "C" "C" "O" "O" "O" "O" "O" "O" "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" 7.62867138792 "source-unit" "angstrom" } "b" { "source-value" 6.24972833 "source-unit" "angstrom" } "c" { "source-value" 7.6452725735 "source-unit" "angstrom" } "beta" { "source-value" 119.891910122 "source-unit" "degree" } }