{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmmm" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.25 0.5 ] [ 0.25 0.25 0.5 ] [ 0.25 0.75 0.5 ] [ 0.75 0.75 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.233444 0 0.5 ] [ 0.766556 0 0.5 ] [ 0 0.240035 0 ] [ 0 0.759965 0 ] [ 0.733444 0.5 0.5 ] [ 0.266556 0.5 0.5 ] [ 0.5 0.740035 0 ] [ 0.5 0.259965 0 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "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" 7.88821557 "source-unit" "angstrom" } "b" { "source-value" 11.00436594 "source-unit" "angstrom" } "c" { "source-value" 3.80619804 "source-unit" "angstrom" } }