{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P321" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.325672 ] [ 0.666667 0.333333 0.674328 ] [ 0 0 0 ] [ 0.333333 0.666667 0.820058 ] [ 0.666667 0.333333 0.179942 ] [ 0.530123 0.530123 0 ] [ 0.355971 0.20333 0.325295 ] [ 0 0.469877 0 ] [ 0.847359 0.644029 0.325295 ] [ 0.152641 0.79667 0.674705 ] [ 0.469877 0 0 ] [ 0.20333 0.355971 0.674705 ] [ 0.79667 0.152641 0.325295 ] [ 0.644029 0.847359 0.674705 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Sb" "Sb" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.80929694283 "source-unit" "angstrom" } "c" { "source-value" 9.57374973 "source-unit" "angstrom" } }