{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.951746 0.633763 0.75 ] [ 0.451746 0.866237 0.25 ] [ 0.548254 0.133763 0.75 ] [ 0.048254 0.366237 0.25 ] [ 0.362114 0.162943 0.436488 ] [ 0.862114 0.337057 0.563512 ] [ 0.137886 0.662943 0.063512 ] [ 0.637886 0.837057 0.936488 ] [ 0.609511 0.528971 0.25 ] [ 0.109511 0.971029 0.75 ] [ 0.890489 0.028971 0.25 ] [ 0.390489 0.471029 0.75 ] [ 0.362114 0.162943 0.063512 ] [ 0.862114 0.337057 0.936488 ] [ 0.137886 0.662943 0.436488 ] [ 0.637886 0.837057 0.563512 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "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" 4.60698408 "source-unit" "angstrom" } "b" { "source-value" 6.32867972 "source-unit" "angstrom" } "c" { "source-value" 6.95635502 "source-unit" "angstrom" } }