{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0 0.5 ] [ 0.669139 0.34834 0.761892 ] [ 0.330861 0.65166 0.238108 ] [ 0.155666 0.700434 0.110024 ] [ 0.637269 0.749584 0.098094 ] [ 0.261296 0.792293 0.395536 ] [ 0.285066 0.345693 0.347033 ] [ 0.362731 0.250416 0.901906 ] [ 0.738704 0.207707 0.604464 ] [ 0.714934 0.654307 0.652967 ] [ 0.844334 0.299566 0.889976 ] [ 0.894632 0.055027 0.264104 ] [ 0.105368 0.944973 0.735896 ] ] } "species" { "source-value" [ "Fe" "Fe" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.36358118904 "source-unit" "angstrom" } "b" { "source-value" 5.35929564053 "source-unit" "angstrom" } "c" { "source-value" 7.42873993223 "source-unit" "angstrom" } "alpha" { "source-value" 109.842957783 "source-unit" "degree" } "beta" { "source-value" 107.397894216 "source-unit" "degree" } "gamma" { "source-value" 96.1798245412 "source-unit" "degree" } }