{ "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 0 0 ] [ 0.5 0.833227 0 ] [ 0.5 0.166773 0 ] [ 0.5 0.5 0 ] [ 0 0.333227 0 ] [ 0 0.666773 0 ] [ 0 0.166019 0.5 ] [ 0 0.833981 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.666019 0.5 ] [ 0.5 0.333981 0.5 ] [ 0 0.5 0.5 ] [ 0.770384 0 0.269922 ] [ 0.244367 0.172013 0.277502 ] [ 0.244367 0.827987 0.277502 ] [ 0.755633 0.827987 0.722498 ] [ 0.755633 0.172013 0.722498 ] [ 0.229616 0 0.730078 ] [ 0.270384 0.5 0.269922 ] [ 0.744367 0.672013 0.277502 ] [ 0.744367 0.327987 0.277502 ] [ 0.255633 0.327987 0.722498 ] [ 0.255633 0.672013 0.722498 ] [ 0.729616 0.5 0.730078 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "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" 4.9899863 "source-unit" "angstrom" } "b" { "source-value" 8.73909359 "source-unit" "angstrom" } "c" { "source-value" 5.03531955 "source-unit" "angstrom" } "beta" { "source-value" 108.59448985 "source-unit" "degree" } }