{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.801877 ] [ 0 0 0.301877 ] [ 0.666667 0.333333 0.864723 ] [ 0.333333 0.666667 0.364723 ] [ 0.666667 0.333333 0.234703 ] [ 0.333333 0.666667 0.734703 ] [ 0.653829 0.623634 0.295643 ] [ 0.376366 0.030195 0.295643 ] [ 0.666667 0.333333 0.06148 ] [ 0.030195 0.653829 0.795643 ] [ 0.969805 0.346171 0.295643 ] [ 0.333333 0.666667 0.56148 ] [ 0.623634 0.969805 0.795643 ] [ 0.346171 0.376366 0.795643 ] ] } "species" { "source-value" [ "Li" "Li" "Fe" "Fe" "Si" "Si" "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" 5.23219209 "source-unit" "angstrom" } "c" { "source-value" 9.33915014 "source-unit" "angstrom" } }