{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.226936 0.754267 0.085298 ] [ 0.74436 0.508385 0.271191 ] [ 0.257711 0.008101 0.730172 ] [ 0.25656 0.492362 0.72933 ] [ 0.77588 0.248516 0.91587 ] [ 0.751796 0.990377 0.281119 ] [ 0.21831 0.245712 0.344551 ] [ 0.780322 0.749829 0.652735 ] [ 0.279648 0.752519 0.4146 ] [ 0.714321 0.243968 0.579546 ] [ 0.29615 0.247686 0.057537 ] [ 0.709706 0.757092 0.947183 ] [ 0.685102 0.768873 0.092863 ] [ 0.068599 0.250571 0.113314 ] [ 0.493065 0.240102 0.152856 ] [ 0.183948 0.933358 0.31717 ] [ 0.209541 0.560902 0.317871 ] [ 0.839921 0.231651 0.423131 ] [ 0.578215 0.766603 0.439786 ] [ 0.416854 0.247489 0.553734 ] [ 0.152173 0.749482 0.569834 ] [ 0.799124 0.435101 0.672743 ] [ 0.79184 0.062813 0.682261 ] [ 0.509872 0.750018 0.854391 ] [ 0.934342 0.751551 0.887774 ] [ 0.325699 0.252675 0.913144 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Li" "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" 5.22199953 "source-unit" "angstrom" } "b" { "source-value" 6.64669435 "source-unit" "angstrom" } "c" { "source-value" 8.82090529 "source-unit" "angstrom" } "alpha" { "source-value" 90.63931605 "source-unit" "degree" } "beta" { "source-value" 91.95788678 "source-unit" "degree" } "gamma" { "source-value" 90.15981437 "source-unit" "degree" } }