{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnmm" } "basis-atom-coordinates" { "source-value" [ [ 0.746664 0.022748 0.75 ] [ 0.746664 0.477252 0.75 ] [ 0.253336 0.977252 0.25 ] [ 0.253336 0.522748 0.25 ] [ 0 0.5 0 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.551578 0.25 0.406073 ] [ 0.448422 0.75 0.593927 ] [ 0.551578 0.25 0.093927 ] [ 0 0.5 0.5 ] [ 0.448422 0.75 0.906073 ] [ 0.181516 0.75 0.75 ] [ 0.751645 0.75 0.447452 ] [ 0.751645 0.75 0.052548 ] [ 0.248355 0.25 0.947452 ] [ 0.818484 0.25 0.25 ] [ 0.248355 0.25 0.552548 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "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" 4.88507678 "source-unit" "angstrom" } "b" { "source-value" 7.67382142 "source-unit" "angstrom" } "c" { "source-value" 12.48051883 "source-unit" "angstrom" } }