{ "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 0 0 ] [ 0 0.5 0.5 ] [ 0.335387 0.754175 0.833569 ] [ 0.335387 0.745825 0.333569 ] [ 0.664613 0.254175 0.666431 ] [ 0.664613 0.245825 0.166431 ] [ 0.61742 0.254496 0.961367 ] [ 0.297479 0.252353 0.691821 ] [ 0.920252 0.748552 0.653629 ] [ 0.079748 0.248552 0.846371 ] [ 0.61742 0.245504 0.461367 ] [ 0.297479 0.247647 0.191821 ] [ 0.702521 0.752353 0.808179 ] [ 0.38258 0.754496 0.538633 ] [ 0.920252 0.751448 0.153629 ] [ 0.079748 0.251448 0.346371 ] [ 0.702521 0.747647 0.308179 ] [ 0.38258 0.745504 0.038633 ] ] } "species" { "source-value" [ "Na" "Na" "U" "U" "U" "U" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.73662597 "source-unit" "angstrom" } "b" { "source-value" 4.12508494 "source-unit" "angstrom" } "c" { "source-value" 15.42729057 "source-unit" "angstrom" } "beta" { "source-value" 119.60821008 "source-unit" "degree" } }