{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.394449 0.881687 ] [ 0.605551 0.605551 0.881687 ] [ 0.605551 0 0.118313 ] [ 0.394449 0 0.618313 ] [ 0.394449 0.394449 0.381687 ] [ 0.605551 0 0.381687 ] [ 0.394449 0.394449 0.118313 ] [ 0 0.605551 0.118313 ] [ 0 0.394449 0.618313 ] [ 0.605551 0.605551 0.618313 ] [ 0.394449 0 0.881687 ] [ 0 0.605551 0.381687 ] [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.713781 0 0.75 ] [ 0.286219 0.286219 0.75 ] [ 0.286219 0 0.25 ] [ 0.666667 0.333333 0.5 ] [ 0.333333 0.666667 0 ] [ 0.333333 0.666667 0.5 ] [ 0.666667 0.333333 0 ] [ 0.713781 0.713781 0.25 ] [ 0 0.286219 0.25 ] [ 0 0.713781 0.75 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Mn" "Mn" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.23311129982 "source-unit" "angstrom" } "c" { "source-value" 12.35204361 "source-unit" "angstrom" } }