{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.185886 0.5 0.824103 ] [ 0.814114 0.5 0.175897 ] [ 0 0 0.5 ] [ 0.803088 0.5 0.640911 ] [ 0.196912 0.5 0.359089 ] [ 0.685886 0 0.824103 ] [ 0.314114 0 0.175897 ] [ 0.5 0.5 0.5 ] [ 0.303088 0 0.640911 ] [ 0.696912 0 0.359089 ] [ 0 0.214386 0 ] [ 0 0.785614 0 ] [ 0.5 0.714386 0 ] [ 0.5 0.285614 0 ] [ 0.000835 0.5 0.178344 ] [ 0.999165 0.5 0.821656 ] [ 0.998761 0 0.206961 ] [ 0.001239 0 0.793039 ] [ 0.834261 0.746667 0.914697 ] [ 0.165739 0.746667 0.085303 ] [ 0.165739 0.253333 0.085303 ] [ 0.154078 0.747921 0.573755 ] [ 0.845922 0.747921 0.426245 ] [ 0.845922 0.252079 0.426245 ] [ 0.154078 0.252079 0.573755 ] [ 0.834261 0.253333 0.914697 ] [ 0.500835 0 0.178344 ] [ 0.499165 0 0.821656 ] [ 0.498761 0.5 0.206961 ] [ 0.501239 0.5 0.793039 ] [ 0.334261 0.246667 0.914697 ] [ 0.665739 0.246667 0.085303 ] [ 0.665739 0.753333 0.085303 ] [ 0.654078 0.247921 0.573755 ] [ 0.345922 0.247921 0.426245 ] [ 0.345922 0.752079 0.426245 ] [ 0.654078 0.752079 0.573755 ] [ 0.334261 0.753333 0.914697 ] ] } "species" { "source-value" [ "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Re" "Re" "Re" "Re" "O" "O" "O" "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" 12.415521388 "source-unit" "angstrom" } "b" { "source-value" 5.66000615 "source-unit" "angstrom" } "c" { "source-value" 7.5251311354 "source-unit" "angstrom" } "beta" { "source-value" 107.90660881 "source-unit" "degree" } }