{ "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" [ [ 0.838692 0.5 0.21398 ] [ 0.161308 0.5 0.78602 ] [ 0.007897 0.5 0.252606 ] [ 0.992103 0.5 0.747394 ] [ 0.338692 0 0.21398 ] [ 0.661308 0 0.78602 ] [ 0.507897 0 0.252606 ] [ 0.492103 0 0.747394 ] [ 0.148248 0 0.279399 ] [ 0.851752 0 0.720601 ] [ 0.648248 0.5 0.279399 ] [ 0.351752 0.5 0.720601 ] [ 0.087214 0 0.014035 ] [ 0.912786 0 0.985965 ] [ 0.089651 0 0.527229 ] [ 0.910349 0 0.472771 ] [ 0.213674 0.5 0.2856 ] [ 0.786326 0.5 0.7144 ] [ 0.587214 0.5 0.014035 ] [ 0.412786 0.5 0.985965 ] [ 0.589651 0.5 0.527229 ] [ 0.410349 0.5 0.472771 ] [ 0.713674 0 0.2856 ] [ 0.286326 0 0.7144 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Sn" "Sn" "Sn" "Sn" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 23.6241859563 "source-unit" "angstrom" } "b" { "source-value" 3.91530554966 "source-unit" "angstrom" } "c" { "source-value" 7.52817018609 "source-unit" "angstrom" } "beta" { "source-value" 93.4234747366 "source-unit" "degree" } }