{ "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" [ [ 0.794526 0.5 0.635656 ] [ 0.205474 0.5 0.364344 ] [ 0.115933 0.5 0.883799 ] [ 0.884067 0.5 0.116201 ] [ 0.294526 0 0.635656 ] [ 0.705474 0 0.364344 ] [ 0.615933 0 0.883799 ] [ 0.384067 0 0.116201 ] [ 0.840125 0 0.915582 ] [ 0.159875 0 0.084418 ] [ 0.090407 0 0.701877 ] [ 0.909593 0 0.298123 ] [ 0.340125 0.5 0.915582 ] [ 0.659875 0.5 0.084418 ] [ 0.590407 0.5 0.701877 ] [ 0.409593 0.5 0.298123 ] [ 0.248526 0.5 0.56837 ] [ 0.251474 0 0.43163 ] [ 0.748526 0 0.56837 ] [ 0.751474 0.5 0.43163 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "S" "S" "S" "S" "S" "S" "S" "S" "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" 11.19866195 "source-unit" "angstrom" } "b" { "source-value" 4.06163864 "source-unit" "angstrom" } "c" { "source-value" 10.36558853 "source-unit" "angstrom" } "beta" { "source-value" 103.38355368 "source-unit" "degree" } }