{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_322" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.082806 ] [ 0.666667 0.333333 0.417194 ] [ 0.333333 0.666667 0.582806 ] [ 0.333333 0.666667 0.917194 ] [ 0.666667 0.333333 0.75 ] [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.333333 0.666667 0.25 ] [ 0.332227 0.336973 0.361241 ] [ 0.332227 0.995254 0.138759 ] [ 0.663027 0.667773 0.138759 ] [ 0.004746 0.667773 0.361241 ] [ 0.663027 0.995254 0.361241 ] [ 0.995254 0.663027 0.638759 ] [ 0.004746 0.336973 0.138759 ] [ 0.336973 0.004746 0.861241 ] [ 0.995254 0.332227 0.861241 ] [ 0.336973 0.332227 0.638759 ] [ 0.667773 0.004746 0.638759 ] [ 0.667773 0.663027 0.861241 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.42575877 "source-unit" "angstrom" } "c" { "source-value" 10.48540697 "source-unit" "angstrom" } }