{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0 0 ] [ 0.75 0 0 ] [ 0.75 0.5 0.5 ] [ 0.25 0.5 0.5 ] [ 0 0.192342 0.103213 ] [ 0 0.807658 0.896787 ] [ 0.5 0.192342 0.896787 ] [ 0.5 0.807658 0.103213 ] [ 0.5 0.692342 0.603213 ] [ 0.5 0.307658 0.396787 ] [ 0 0.692342 0.396787 ] [ 0 0.307658 0.603213 ] ] } "species" { "source-value" [ "Be" "Be" "Be" "Be" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.58694164007 "source-unit" "angstrom" } "b" { "source-value" 6.24985565794 "source-unit" "angstrom" } "c" { "source-value" 11.6535790998 "source-unit" "angstrom" } }