{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P3_121" } "basis-atom-coordinates" { "source-value" [ [ 0.476305 0.476305 0 ] [ 0.523695 0 0.333333 ] [ 0 0.523695 0.666667 ] [ 0.585146 0.743906 0.205457 ] [ 0.15876 0.414854 0.872123 ] [ 0.256094 0.84124 0.53879 ] [ 0.743906 0.585146 0.794543 ] [ 0.84124 0.256094 0.46121 ] [ 0.414854 0.15876 0.127877 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "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" 5.02150235 "source-unit" "angstrom" } "c" { "source-value" 5.51056977 "source-unit" "angstrom" } }