{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.523509 0.159998 0.335399 ] [ 0.460603 0.479286 0.985549 ] [ 0.526072 0.823715 0.66326 ] [ 0.993819 0.673766 0.323955 ] [ 0.966234 0.349396 0.677113 ] [ 0.015643 0.013854 0.017091 ] [ 0.807527 0.631108 0.552427 ] [ 0.805481 0.962266 0.234633 ] [ 0.803539 0.295749 0.906798 ] [ 0.691596 0.129325 0.563767 ] [ 0.30547 0.54015 0.759278 ] [ 0.312049 0.201393 0.114005 ] [ 0.192843 0.700448 0.100619 ] [ 0.702436 0.796168 0.899154 ] [ 0.692453 0.466344 0.2299 ] [ 0.298625 0.871 0.436716 ] [ 0.202119 0.03749 0.769012 ] [ 0.199983 0.368546 0.431324 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "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" 4.69450738 "source-unit" "angstrom" } "b" { "source-value" 5.63354235 "source-unit" "angstrom" } "c" { "source-value" 7.74748068 "source-unit" "angstrom" } "alpha" { "source-value" 85.86474034 "source-unit" "degree" } "beta" { "source-value" 89.5651555 "source-unit" "degree" } "gamma" { "source-value" 88.87379283 "source-unit" "degree" } }