{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-43m" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.5 0 ] [ 0 0.25 0.5 ] [ 0 0.5 0.25 ] [ 0 0.75 0.5 ] [ 0.75 0 0.5 ] [ 0.5 0 0.25 ] [ 0.25 0 0.5 ] [ 0.5 0.75 0 ] [ 0.5 0 0.75 ] [ 0.5 0.25 0 ] [ 0.25 0.5 0 ] [ 0 0.5 0.75 ] [ 0.645587 0.354413 0.966726 ] [ 0.854413 0.854413 0.533274 ] [ 0.354413 0.645587 0.966726 ] [ 0.145587 0.533274 0.145587 ] [ 0.645587 0.966726 0.354413 ] [ 0.854413 0.533274 0.854413 ] [ 0.966726 0.645587 0.354413 ] [ 0.966726 0.354413 0.645587 ] [ 0.533274 0.854413 0.854413 ] [ 0.354413 0.966726 0.645587 ] [ 0.533274 0.145587 0.145587 ] [ 0.145587 0.145587 0.533274 ] [ 0.145587 0.854413 0.466726 ] [ 0.354413 0.354413 0.033274 ] [ 0.854413 0.145587 0.466726 ] [ 0.645587 0.033274 0.645587 ] [ 0.145587 0.466726 0.854413 ] [ 0.354413 0.033274 0.354413 ] [ 0.466726 0.145587 0.854413 ] [ 0.466726 0.854413 0.145587 ] [ 0.033274 0.354413 0.354413 ] [ 0.854413 0.466726 0.145587 ] [ 0.033274 0.645587 0.645587 ] [ 0.645587 0.645587 0.033274 ] ] } "species" { "source-value" [ "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "F" "F" "F" "F" "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" 8.56086072 "source-unit" "angstrom" } }