{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I2_13" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.75 0.767687 ] [ 0 0.75 0.232313 ] [ 0.232313 0 0.75 ] [ 0.75 0.232313 0 ] [ 0.767687 0.5 0.75 ] [ 0.75 0.767687 0.5 ] [ 0 0.25 0.267687 ] [ 0.5 0.25 0.732313 ] [ 0.732313 0.5 0.25 ] [ 0.25 0.732313 0.5 ] [ 0.267687 0 0.25 ] [ 0.25 0.267687 0 ] [ 0.00418 0.00418 0.00418 ] [ 0.50418 0.49582 0.99582 ] [ 0.99582 0.50418 0.49582 ] [ 0.49582 0.99582 0.50418 ] [ 0.50418 0.50418 0.50418 ] [ 0.00418 0.99582 0.49582 ] [ 0.49582 0.00418 0.99582 ] [ 0.99582 0.49582 0.00418 ] [ 0.729845 0.770155 0.229845 ] [ 0.770155 0.229845 0.729845 ] [ 0.229845 0.729845 0.770155 ] [ 0.770155 0.770155 0.770155 ] [ 0.229845 0.270155 0.729845 ] [ 0.270155 0.729845 0.229845 ] [ 0.729845 0.229845 0.270155 ] [ 0.270155 0.270155 0.270155 ] ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "S" "S" "S" "S" "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" 8.03540294154 "source-unit" "angstrom" } }