{ "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" [ [ 0.468028 0.944277 0.650839 ] [ 0.875802 0.758782 0.417733 ] [ 0.250772 0.508985 0.12982 ] [ 0.399069 0.80532 0.895572 ] [ 0.800198 0.59217 0.638815 ] [ 0.199802 0.40783 0.361185 ] [ 0.600931 0.19468 0.104428 ] [ 0.749228 0.491015 0.87018 ] [ 0.124198 0.241218 0.582267 ] [ 0.531972 0.055723 0.349161 ] [ 0.9327 0.87197 0.599343 ] [ 0.409752 0.824993 0.485193 ] [ 0.305234 0.606614 0.295981 ] [ 0.37688 0.765179 0.716509 ] [ 0.703726 0.416923 0.096271 ] [ 0.773822 0.545768 0.435985 ] [ 0.849287 0.696455 0.828032 ] [ 0.150713 0.303545 0.171968 ] [ 0.226178 0.454232 0.564015 ] [ 0.296274 0.583077 0.903729 ] [ 0.62312 0.234821 0.283491 ] [ 0.694766 0.393386 0.704019 ] [ 0.590248 0.175007 0.514807 ] [ 0.0673 0.12803 0.400657 ] [ 0.923527 0.837303 0.029521 ] [ 0.076473 0.162697 0.970479 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "O" "O" "O" "O" "O" "O" "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" 4.19227241 "source-unit" "angstrom" } "b" { "source-value" 9.75789391 "source-unit" "angstrom" } "c" { "source-value" 13.48316478 "source-unit" "angstrom" } "alpha" { "source-value" 109.15151974 "source-unit" "degree" } "beta" { "source-value" 89.96832887 "source-unit" "degree" } "gamma" { "source-value" 102.38115225 "source-unit" "degree" } }