{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.237509 0.496902 0.765515 ] [ 0.237509 0.003098 0.765515 ] [ 0.762491 0.503098 0.234485 ] [ 0.762491 0.996902 0.234485 ] [ 0.783716 0.75 0.651373 ] [ 0.216284 0.25 0.348627 ] [ 0.711979 0.25 0.573386 ] [ 0.288021 0.75 0.426614 ] [ 0.722327 0.75 0.925404 ] [ 0.277673 0.25 0.074596 ] [ 0.312301 0.25 0.936734 ] [ 0.946507 0.75 0.865741 ] [ 0.533584 0.75 0.825723 ] [ 0.796148 0.055259 0.664972 ] [ 0.796148 0.444741 0.664972 ] [ 0.156989 0.75 0.578359 ] [ 0.41674 0.25 0.551192 ] [ 0.58326 0.75 0.448808 ] [ 0.843011 0.25 0.421641 ] [ 0.203852 0.555259 0.335028 ] [ 0.203852 0.944741 0.335028 ] [ 0.466416 0.25 0.174277 ] [ 0.053493 0.25 0.134259 ] [ 0.687699 0.75 0.063266 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Co" "Co" "P" "P" "C" "C" "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" 5.26713755 "source-unit" "angstrom" } "b" { "source-value" 6.44163668 "source-unit" "angstrom" } "c" { "source-value" 8.96685579 "source-unit" "angstrom" } "beta" { "source-value" 91.60829732 "source-unit" "degree" } }