{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cccm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.25 ] [ 0.5 0 0.75 ] [ 0 0.5 0.25 ] [ 0 0.5 0.75 ] [ 0.001273 0.239077 0.5 ] [ 0.998727 0.760923 0.5 ] [ 0.998727 0.239077 0 ] [ 0.001273 0.760923 0 ] [ 0.501273 0.739077 0.5 ] [ 0.498727 0.260923 0.5 ] [ 0.498727 0.739077 0 ] [ 0.501273 0.260923 0 ] [ 0.75 0.75 0.322518 ] [ 0.75 0.25 0.177482 ] [ 0.731631 0.927207 0 ] [ 0.268369 0.072793 0 ] [ 0.731631 0.072793 0.5 ] [ 0.268369 0.927207 0.5 ] [ 0.75 0.75 0.677482 ] [ 0.75 0.25 0.822518 ] [ 0.25 0.25 0.322518 ] [ 0.25 0.75 0.177482 ] [ 0.231631 0.427207 0 ] [ 0.768369 0.572793 0 ] [ 0.231631 0.572793 0.5 ] [ 0.768369 0.427207 0.5 ] [ 0.25 0.25 0.677482 ] [ 0.25 0.75 0.822518 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "In" "In" "In" "In" "In" "In" "In" "In" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.24925355898 "source-unit" "angstrom" } "b" { "source-value" 12.3361195892 "source-unit" "angstrom" } "c" { "source-value" 12.42511821 "source-unit" "angstrom" } }