{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.975158 0.983507 0.25 ] [ 0.524842 0.483507 0.75 ] [ 0.475158 0.516493 0.25 ] [ 0.024842 0.016493 0.75 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0.894747 0.366398 0.75 ] [ 0.830002 0.836771 0.925444 ] [ 0.830002 0.836771 0.574556 ] [ 0.669998 0.336771 0.074556 ] [ 0.669998 0.336771 0.425444 ] [ 0.605253 0.866398 0.25 ] [ 0.394747 0.133602 0.75 ] [ 0.330002 0.663229 0.574556 ] [ 0.330002 0.663229 0.925444 ] [ 0.169998 0.163229 0.074556 ] [ 0.169998 0.163229 0.425444 ] [ 0.105253 0.633602 0.25 ] ] } "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" 5.3302702 "source-unit" "angstrom" } "b" { "source-value" 5.35338606 "source-unit" "angstrom" } "c" { "source-value" 7.89610084 "source-unit" "angstrom" } }