{ "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 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0.164892 0 0.821806 ] [ 0.335108 0.5 0.178194 ] [ 0.664892 0.5 0.821806 ] [ 0.835108 0 0.178194 ] [ 0.974703 0 0.236213 ] [ 0.324669 0 0.953273 ] [ 0.025297 0 0.763787 ] [ 0.328828 0 0.373017 ] [ 0.175331 0.5 0.046727 ] [ 0.171172 0.5 0.626983 ] [ 0.474703 0.5 0.236213 ] [ 0.824669 0.5 0.953273 ] [ 0.525297 0.5 0.763787 ] [ 0.828828 0.5 0.373017 ] [ 0.675331 0 0.046727 ] [ 0.671172 0 0.626983 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "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" 12.91475623 "source-unit" "angstrom" } "b" { "source-value" 2.87958344 "source-unit" "angstrom" } "c" { "source-value" 5.99167035 "source-unit" "angstrom" } "beta" { "source-value" 103.57019364 "source-unit" "degree" } }