{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P321" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.284419 ] [ 0 0 0.715581 ] [ 0.666667 0.333333 0.824541 ] [ 0.666667 0.333333 0.258996 ] [ 0.333333 0.666667 0.175459 ] [ 0.333333 0.666667 0.741004 ] [ 0.99936 0.661739 0.266243 ] [ 0.662379 0.00064 0.266243 ] [ 0.338262 0.337621 0.266243 ] [ 0.661739 0.99936 0.733757 ] [ 0.00064 0.662379 0.733757 ] [ 0.337621 0.338262 0.733757 ] [ 0 0 0.5 ] [ 0.930832 0.762199 0.779974 ] [ 0.835074 0.574571 0.32412 ] [ 0.90201 0.488312 0.739958 ] [ 0.666667 0.333333 0.040794 ] [ 0.739496 0.164926 0.32412 ] [ 0.511688 0.413698 0.739958 ] [ 0.831367 0.069168 0.779974 ] [ 0.762199 0.930832 0.220026 ] [ 0.586302 0.09799 0.739958 ] [ 0.425429 0.260504 0.32412 ] [ 0.237801 0.168633 0.779974 ] [ 0.574571 0.835074 0.67588 ] [ 0.488312 0.90201 0.260042 ] [ 0.333333 0.666667 0.959206 ] [ 0.164926 0.739496 0.67588 ] [ 0.413698 0.511688 0.260042 ] [ 0.069168 0.831367 0.220026 ] [ 0.09799 0.586302 0.260042 ] [ 0.260504 0.425429 0.67588 ] [ 0.168633 0.237801 0.220026 ] ] } "species" { "source-value" [ "Co" "Co" "Co" "Co" "Co" "Co" "C" "C" "C" "C" "C" "C" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.51276977 "source-unit" "angstrom" } "c" { "source-value" 8.24876594 "source-unit" "angstrom" } }