{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-4" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.25 ] [ 0 0.5 0.75 ] [ 0.123027 0.279602 0.866887 ] [ 0.876973 0.720398 0.866887 ] [ 0.279602 0.876973 0.133113 ] [ 0.720398 0.123027 0.133113 ] [ 0.623027 0.779602 0.366887 ] [ 0.376973 0.220398 0.366887 ] [ 0.779602 0.376973 0.633113 ] [ 0.220398 0.623027 0.633113 ] ] } "species" { "source-value" [ "Ga" "Ga" "P" "P" "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" 5.08672429 "source-unit" "angstrom" } "c" { "source-value" 7.37514474 "source-unit" "angstrom" } }