{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.999938 0 0.020339 ] [ 0.991097 0 0.492505 ] [ 0.720224 0.5 0.759999 ] [ 0.769946 0.5 0.251254 ] [ 0.498154 0 0.518241 ] [ 0.490532 0 0.990729 ] [ 0.269045 0.5 0.748125 ] [ 0.262844 0.5 0.216831 ] [ 0.900422 0.5 0.099414 ] [ 0.852668 0 0.354283 ] [ 0.654628 0 0.650007 ] [ 0.597191 0.5 0.909686 ] [ 0.395749 0.5 0.588937 ] [ 0.409894 0.5 0.096328 ] [ 0.338556 0 0.84469 ] [ 0.154054 0 0.149926 ] [ 0.909217 0.5 0.601537 ] [ 0.848678 0 0.844578 ] [ 0.656921 0 0.166504 ] [ 0.598829 0.5 0.399128 ] [ 0.349972 0 0.342858 ] [ 0.142912 0 0.647338 ] [ 0.088215 0.5 0.896389 ] [ 0.100313 0.5 0.41037 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "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" 9.5479746 "source-unit" "angstrom" } "b" { "source-value" 3.06703092 "source-unit" "angstrom" } "c" { "source-value" 9.57587948 "source-unit" "angstrom" } "beta" { "source-value" 90.71210957 "source-unit" "degree" } }