{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.834954 0.5 0.834748 ] [ 0.343544 0 0.330391 ] [ 0.666486 0 0.654213 ] [ 0.154028 0.5 0.185513 ] [ 0.001697 0 0.497552 ] [ 0.998532 0 0.001712 ] [ 0.334954 0 0.834748 ] [ 0.843544 0.5 0.330391 ] [ 0.166486 0.5 0.654213 ] [ 0.654028 0 0.185513 ] [ 0.501697 0.5 0.497552 ] [ 0.498532 0.5 0.001712 ] [ 0.330395 0.30736 0.330921 ] [ 0.169379 0.804082 0.664017 ] [ 0.061788 0.5 0.374163 ] [ 0.830395 0.19264 0.330921 ] [ 0.669379 0.695918 0.664017 ] [ 0.998163 0.691102 0.007617 ] [ 0.998163 0.308898 0.007617 ] [ 0.830395 0.80736 0.330921 ] [ 0.669379 0.304082 0.664017 ] [ 0.561788 0 0.374163 ] [ 0.330395 0.69264 0.330921 ] [ 0.169379 0.195918 0.664017 ] [ 0.498163 0.191102 0.007617 ] [ 0.498163 0.808898 0.007617 ] [ 0.936915 0.5 0.628218 ] [ 0.105169 0 0.291651 ] [ 0.770711 0 0.953667 ] [ 0.225341 0 0.033651 ] [ 0.90496 0 0.709411 ] [ 0.436915 0 0.628218 ] [ 0.605169 0.5 0.291651 ] [ 0.270711 0.5 0.953667 ] [ 0.725341 0.5 0.033651 ] [ 0.40496 0.5 0.709411 ] ] } "species" { "source-value" [ "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" "F" "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" 9.21946044 "source-unit" "angstrom" } "b" { "source-value" 6.15404152 "source-unit" "angstrom" } "c" { "source-value" 7.66782273 "source-unit" "angstrom" } "beta" { "source-value" 118.02237373 "source-unit" "degree" } }