{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.913025 0.5 0.217508 ] [ 0.411683 0.5 0.279075 ] [ 0.589165 0 0.720424 ] [ 0.62343 0 0.134374 ] [ 0.123704 0 0.364682 ] [ 0.875262 0.5 0.631451 ] [ 0.382816 0.5 0.868631 ] [ 0.241601 0 0.042878 ] [ 0.742637 0 0.455768 ] [ 0.257473 0.5 0.541564 ] [ 0.085928 0 0.783008 ] [ 0.76022 0.5 0.957393 ] [ 0.868444 0 0.068491 ] [ 0.486578 0.5 0.09644 ] [ 0.180871 0 0.222729 ] [ 0.680273 0 0.280786 ] [ 0.989857 0.5 0.406606 ] [ 0.366341 0 0.436913 ] [ 0.629926 0.5 0.563657 ] [ 0.010479 0 0.602996 ] [ 0.312906 0.5 0.723445 ] [ 0.831637 0.5 0.772282 ] [ 0.50192 0 0.899814 ] [ 0.133824 0.5 0.929087 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Li" "Li" "Li" "Li" "La" "La" "La" "La" "La" "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" 6.98671407 "source-unit" "angstrom" } "b" { "source-value" 3.59119434 "source-unit" "angstrom" } "c" { "source-value" 13.61394349 "source-unit" "angstrom" } "beta" { "source-value" 90.05723849 "source-unit" "degree" } }