{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_13" } "basis-atom-coordinates" { "source-value" [ [ 0.493064 0.506936 0.006936 ] [ 0.506936 0.006936 0.493064 ] [ 0.993064 0.993064 0.993064 ] [ 0.006936 0.493064 0.506936 ] [ 0.37919 0.12081 0.87919 ] [ 0.87919 0.37919 0.12081 ] [ 0.62081 0.62081 0.62081 ] [ 0.12081 0.87919 0.37919 ] [ 0.61587 0.88413 0.11587 ] [ 0.11587 0.61587 0.88413 ] [ 0.88413 0.11587 0.61587 ] [ 0.38413 0.38413 0.38413 ] ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "As" "As" "As" "As" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.69590406 "source-unit" "angstrom" } }