{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Im2m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.494398 0.24842 ] [ 0.5 0.994398 0.25158 ] [ 0.5 0.994398 0.74842 ] [ 0 0.494398 0.75158 ] [ 0 0.007803 0 ] [ 0.5 0.507803 0.5 ] [ 0 0.995419 0.23767 ] [ 0.5 0.495419 0.26233 ] [ 0 0.497122 0 ] [ 0.5 0.998693 0 ] [ 0.5 0.495419 0.73767 ] [ 0 0.995419 0.76233 ] [ 0.5 0.997122 0.5 ] [ 0 0.498693 0.5 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "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" 5.53442831 "source-unit" "angstrom" } "b" { "source-value" 5.53931717 "source-unit" "angstrom" } "c" { "source-value" 10.94689763 "source-unit" "angstrom" } }