{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pn2_1m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.227808 0.000294 ] [ 0 0.326779 0.332763 ] [ 0 0.231418 0.666955 ] [ 0.5 0.768582 0.166955 ] [ 0.5 0.772192 0.500294 ] [ 0.5 0.673221 0.832763 ] [ 0.5 0.485519 0.26516 ] [ 0.5 0.418205 0.935155 ] [ 0 0.514481 0.76516 ] [ 0 0.581795 0.435155 ] [ 0 0.95365 0.567416 ] [ 0.5 0.04635 0.067416 ] [ 0.5 0.441112 0.601643 ] [ 0 0.558888 0.101643 ] [ 0 0.975249 0.234856 ] [ 0 0.915662 0.895759 ] [ 0.5 0.084338 0.395759 ] [ 0.5 0.024751 0.734856 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "V" "V" "O" "O" "O" "O" "O" "O" "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" 3.10357568 "source-unit" "angstrom" } "b" { "source-value" 4.75421357 "source-unit" "angstrom" } "c" { "source-value" 14.19985211 "source-unit" "angstrom" } }