{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P3m1" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.680554 ] [ 0.333333 0.666667 0.755169 ] [ 0.836124 0.672248 0.247447 ] [ 0.327752 0.163876 0.247447 ] [ 0.836124 0.163876 0.247447 ] [ 0.666667 0.333333 0.038245 ] [ 0.666818 0.833409 0.028763 ] [ 0.166591 0.333182 0.028763 ] [ 0.166591 0.833409 0.028763 ] [ 0 0 0.472486 ] [ 0.98282 0.49141 0.492306 ] [ 0.50859 0.01718 0.492306 ] [ 0.50859 0.49141 0.492306 ] ] } "species" { "source-value" [ "Li" "Sc" "Mo" "Mo" "Mo" "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" 6.18910212823 "source-unit" "angstrom" } "c" { "source-value" 4.81239589 "source-unit" "angstrom" } }