{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.75 0.183147 ] [ 0.5 0.25 0.220391 ] [ 0 0 0.5 ] [ 0 0.5 0.5 ] [ 0.5 0.75 0.779609 ] [ 0 0.25 0.816853 ] [ 0 0.467772 0.27129 ] [ 0 0.032228 0.27129 ] [ 0 0.967772 0.72871 ] [ 0 0.532228 0.72871 ] [ 0.5 0.75 0.019682 ] [ 0.5 0.75 0.490416 ] [ 0.5 0.25 0.509584 ] [ 0.5 0.25 0.980318 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "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" 3.23101312 "source-unit" "angstrom" } "b" { "source-value" 6.41603593 "source-unit" "angstrom" } "c" { "source-value" 8.66004813 "source-unit" "angstrom" } }