{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/m" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.056753 ] [ 0.666667 0.333333 0.556753 ] [ 0.333333 0.666667 0.443247 ] [ 0.666667 0.333333 0.943247 ] [ 0.617153 0.745883 0.75 ] [ 0.87127 0.617153 0.25 ] [ 0.745883 0.12873 0.25 ] [ 0.254117 0.87127 0.75 ] [ 0.12873 0.382847 0.75 ] [ 0.382847 0.254117 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.255537 0.236692 0.386437 ] [ 0.018845 0.255537 0.886437 ] [ 0.236692 0.981155 0.886437 ] [ 0.763308 0.018845 0.386437 ] [ 0.981155 0.744463 0.386437 ] [ 0.744463 0.763308 0.886437 ] [ 0.744463 0.763308 0.613563 ] [ 0.981155 0.744463 0.113563 ] [ 0.763308 0.018845 0.113563 ] [ 0.236692 0.981155 0.613563 ] [ 0.018845 0.255537 0.613563 ] [ 0.255537 0.236692 0.113563 ] [ 0.48745 0.086145 0.25 ] [ 0.401305 0.48745 0.75 ] [ 0.086145 0.598695 0.75 ] [ 0.913855 0.401305 0.25 ] [ 0.598695 0.51255 0.25 ] [ 0.51255 0.913855 0.75 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Si" "Si" "Si" "Si" "Si" "Si" "Sn" "Sn" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 6.96851204781 "source-unit" "angstrom" } "c" { "source-value" 10.1706826 "source-unit" "angstrom" } }