{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.632782 0.367567 ] [ 0.75 0.367218 0.632433 ] [ 0.25 0.132782 0.132433 ] [ 0.75 0.867218 0.867567 ] [ 0.75 0.998854 0.383757 ] [ 0.75 0.498854 0.116243 ] [ 0.25 0.001146 0.616243 ] [ 0.25 0.501146 0.883757 ] [ 0.25 0.672062 0.667862 ] [ 0.75 0.327938 0.332138 ] [ 0.25 0.172062 0.832138 ] [ 0.75 0.827938 0.167862 ] [ 0.25 0.742228 0.076451 ] [ 0.75 0.757772 0.576451 ] [ 0.25 0.242228 0.423549 ] [ 0.75 0.257772 0.923549 ] ] } "species" { "source-value" [ "Ta" "Ta" "Ta" "Ta" "Ni" "Ni" "Ni" "Ni" "B" "B" "B" "B" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.11367588 "source-unit" "angstrom" } "b" { "source-value" 6.0373328 "source-unit" "angstrom" } "c" { "source-value" 8.18467025 "source-unit" "angstrom" } }