{ "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" [ [ 0.75 0.474331 0.677115 ] [ 0.25 0.025669 0.177115 ] [ 0.75 0.974331 0.822885 ] [ 0.25 0.525669 0.322885 ] [ 0.25 0.260418 0.877542 ] [ 0.25 0.760418 0.622458 ] [ 0.75 0.739582 0.122458 ] [ 0.75 0.239582 0.377542 ] [ 0.25 0.645719 0.934477 ] [ 0.25 0.145719 0.565523 ] [ 0.75 0.854281 0.434477 ] [ 0.75 0.354281 0.065523 ] ] } "species" { "source-value" [ "Hf" "Hf" "Hf" "Hf" "Si" "Si" "Si" "Si" "Pt" "Pt" "Pt" "Pt" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.90850381 "source-unit" "angstrom" } "b" { "source-value" 6.594834 "source-unit" "angstrom" } "c" { "source-value" 7.57696669 "source-unit" "angstrom" } }