{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0 0.556809 0.5 ] [ 0.5 0.056809 0.5 ] [ 0 0.000313 0 ] [ 0.5 0.500313 0 ] [ 0.86152 0.48694 0.200104 ] [ 0.134001 0.486545 0.335441 ] [ 0.13848 0.48694 0.799896 ] [ 0.865999 0.486545 0.664559 ] [ 0.36152 0.98694 0.200104 ] [ 0.634001 0.986545 0.335441 ] [ 0.63848 0.98694 0.799896 ] [ 0.365999 0.986545 0.664559 ] [ 0 0.995208 0.5 ] [ 0.5 0.495208 0.5 ] ] } "species" { "source-value" [ "Nb" "Nb" "Tl" "Tl" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "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" 13.9307072787 "source-unit" "angstrom" } "b" { "source-value" 4.08294967 "source-unit" "angstrom" } "c" { "source-value" 7.84046274767 "source-unit" "angstrom" } "beta" { "source-value" 106.996890528 "source-unit" "degree" } }