{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-43n" } "basis-atom-coordinates" { "source-value" [ [ 0.806571 0.806571 0.193429 ] [ 0.806571 0.193429 0.806571 ] [ 0.193429 0.806571 0.806571 ] [ 0.193429 0.193429 0.193429 ] [ 0.306571 0.306571 0.693429 ] [ 0.306571 0.693429 0.306571 ] [ 0.693429 0.306571 0.306571 ] [ 0.693429 0.693429 0.693429 ] [ 0 0.5 0.25 ] [ 0 0.5 0.75 ] [ 0.25 0 0.5 ] [ 0.5 0.75 0 ] [ 0.5 0.25 0 ] [ 0.75 0 0.5 ] [ 0.75 0.5 0 ] [ 0 0.75 0.5 ] [ 0.25 0.5 0 ] [ 0.5 0 0.75 ] [ 0.5 0 0.25 ] [ 0 0.25 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.562333 0.86238 0.154091 ] [ 0.562333 0.13762 0.845909 ] [ 0.845909 0.562333 0.13762 ] [ 0.845909 0.437667 0.86238 ] [ 0.86238 0.154091 0.562333 ] [ 0.86238 0.845909 0.437667 ] [ 0.062333 0.345909 0.63762 ] [ 0.062333 0.654091 0.36238 ] [ 0.13762 0.845909 0.562333 ] [ 0.13762 0.154091 0.437667 ] [ 0.154091 0.562333 0.86238 ] [ 0.154091 0.437667 0.13762 ] [ 0.345909 0.36238 0.937667 ] [ 0.345909 0.63762 0.062333 ] [ 0.36238 0.062333 0.654091 ] [ 0.36238 0.937667 0.345909 ] [ 0.437667 0.86238 0.845909 ] [ 0.437667 0.13762 0.154091 ] [ 0.63762 0.062333 0.345909 ] [ 0.63762 0.937667 0.654091 ] [ 0.654091 0.36238 0.062333 ] [ 0.654091 0.63762 0.937667 ] [ 0.937667 0.345909 0.36238 ] [ 0.937667 0.654091 0.63762 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Si" "Si" "Si" "Si" "Si" "Si" "I" "I" "O" "O" "O" "O" "O" "O" "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" 9.19053053 "source-unit" "angstrom" } }