{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.664888 ] [ 0.333333 0.666667 0.164888 ] [ 0.119864 0.779669 0.755091 ] [ 0.340195 0.119864 0.255091 ] [ 0.779669 0.659805 0.255091 ] [ 0.220331 0.340195 0.755091 ] [ 0.659805 0.880136 0.755091 ] [ 0.880136 0.220331 0.255091 ] [ 0.333333 0.666667 0.734951 ] [ 0.666667 0.333333 0.234951 ] [ 0.963894 0.506309 0.780095 ] [ 0.457585 0.963894 0.280095 ] [ 0.506309 0.542415 0.280095 ] [ 0.493691 0.457585 0.780095 ] [ 0.542415 0.036106 0.780095 ] [ 0.036106 0.493691 0.280095 ] [ 0.205014 0.395359 0.995215 ] [ 0.809655 0.205014 0.495215 ] [ 0.395359 0.190345 0.495215 ] [ 0.604641 0.809655 0.995215 ] [ 0.190345 0.794986 0.995215 ] [ 0.794986 0.604641 0.495215 ] [ 0.112064 0.22611 0.338652 ] [ 0.885954 0.112064 0.838652 ] [ 0.22611 0.114046 0.838652 ] [ 0.77389 0.885954 0.338652 ] [ 0.114046 0.887936 0.338652 ] [ 0.887936 0.77389 0.838652 ] ] } "species" { "source-value" [ "Na" "Na" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "F" "F" "F" "F" "F" "F" "F" "F" "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" 8.35519789161 "source-unit" "angstrom" } "c" { "source-value" 7.87630663 "source-unit" "angstrom" } }