{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.220547 0.441549 ] [ 0.75 0.720547 0.058451 ] [ 0.25 0.279453 0.941549 ] [ 0.25 0.779453 0.558451 ] [ 0.75 0.074646 0.758039 ] [ 0.75 0.574646 0.741961 ] [ 0.25 0.425354 0.258039 ] [ 0.25 0.925354 0.241961 ] [ 0.75 0.345106 0.896061 ] [ 0.75 0.845106 0.603939 ] [ 0.75 0.313091 0.618189 ] [ 0.75 0.402467 0.285266 ] [ 0.75 0.813091 0.881811 ] [ 0.75 0.902467 0.214734 ] [ 0.25 0.097533 0.785266 ] [ 0.25 0.186909 0.118189 ] [ 0.25 0.597533 0.714734 ] [ 0.25 0.686909 0.381811 ] [ 0.25 0.154894 0.396061 ] [ 0.25 0.654894 0.103939 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "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" 3.99799841 "source-unit" "angstrom" } "b" { "source-value" 6.46731392 "source-unit" "angstrom" } "c" { "source-value" 9.91315115 "source-unit" "angstrom" } }