{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1ma" } "basis-atom-coordinates" { "source-value" [ [ 0.051722 0.274347 0.073293 ] [ 0.051722 0.725653 0.073293 ] [ 0.454475 0.5 0.266741 ] [ 0.438168 0.730879 0.586587 ] [ 0.438168 0.269121 0.586587 ] [ 0.551722 0.725653 0.926707 ] [ 0.551722 0.274347 0.926707 ] [ 0.954475 0.5 0.733259 ] [ 0.938168 0.269121 0.413413 ] [ 0.938168 0.730879 0.413413 ] [ 0.49576 0 0.250131 ] [ 0.99576 0 0.749869 ] [ 0.106887 0 0.563982 ] [ 0.172824 0.176247 0.802262 ] [ 0.172824 0.823753 0.802262 ] [ 0.211035 0.5 0.517429 ] [ 0.308 0.5 0.015597 ] [ 0.316651 0.174704 0.303641 ] [ 0.316651 0.825296 0.303641 ] [ 0.385052 0 0.064936 ] [ 0.533734 0.5 0.746816 ] [ 0.606887 0 0.436018 ] [ 0.672824 0.176247 0.197738 ] [ 0.672824 0.823753 0.197738 ] [ 0.711035 0.5 0.482571 ] [ 0.808 0.5 0.984403 ] [ 0.816651 0.174704 0.696359 ] [ 0.816651 0.825296 0.696359 ] [ 0.885052 0 0.935064 ] [ 0.033734 0.5 0.253184 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Sn" "Sn" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "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" 7.22337793 "source-unit" "angstrom" } "b" { "source-value" 8.32358029 "source-unit" "angstrom" } "c" { "source-value" 9.84076648 "source-unit" "angstrom" } }