{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-3m1" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.333333 0.666667 0.809394 ] [ 0.666667 0.333333 0.190606 ] [ 0.167682 0.335363 0.236261 ] [ 0.664637 0.832318 0.236261 ] [ 0.832318 0.167682 0.763739 ] [ 0.167682 0.832318 0.236261 ] [ 0.335363 0.167682 0.763739 ] [ 0.832318 0.664637 0.763739 ] ] } "species" { "source-value" [ "Li" "V" "V" "V" "O" "O" "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" 6.07053347 "source-unit" "angstrom" } "c" { "source-value" 4.61060657 "source-unit" "angstrom" } }