{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.016457 0.981826 0.879512 ] [ 0.106683 0.481556 0.901965 ] [ 0.544401 0.93598 0.312595 ] [ 0.455599 0.43598 0.187405 ] [ 0.893317 0.981556 0.598035 ] [ 0.983543 0.481826 0.620488 ] [ 0.016457 0.518174 0.379512 ] [ 0.106683 0.018444 0.401965 ] [ 0.544401 0.56402 0.812595 ] [ 0.455599 0.06402 0.687405 ] [ 0.893317 0.518444 0.098035 ] [ 0.983543 0.018174 0.120488 ] [ 0.507584 0.352032 0.414082 ] [ 0.492416 0.852032 0.085918 ] [ 0.507584 0.147968 0.914082 ] [ 0.492416 0.647968 0.585918 ] [ 0.779463 0.738151 0.719434 ] [ 0.510169 0.682266 0.436594 ] [ 0.194476 0.741303 0.066913 ] [ 0.805524 0.241303 0.433087 ] [ 0.489831 0.182266 0.063406 ] [ 0.220537 0.238151 0.780566 ] [ 0.779463 0.761849 0.219434 ] [ 0.510169 0.817734 0.936594 ] [ 0.194476 0.758697 0.566913 ] [ 0.805524 0.258697 0.933087 ] [ 0.489831 0.317734 0.563406 ] [ 0.220537 0.261849 0.280566 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Co" "Co" "Co" "Co" "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" 6.03028277 "source-unit" "angstrom" } "b" { "source-value" 5.88266219 "source-unit" "angstrom" } "c" { "source-value" 12.60106459 "source-unit" "angstrom" } "beta" { "source-value" 118.66779261 "source-unit" "degree" } }