{ "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 0.368533 0.501817 ] [ 0.75 0.631467 0.498183 ] [ 0.25 0.131467 0.001817 ] [ 0.75 0.868533 0.998183 ] [ 0.25 0.873024 0.300079 ] [ 0.75 0.126976 0.699921 ] [ 0.25 0.626976 0.800079 ] [ 0.75 0.373024 0.199921 ] [ 0.75 0.428727 0.87035 ] [ 0.25 0.571273 0.12965 ] [ 0.75 0.071273 0.37035 ] [ 0.25 0.928727 0.62965 ] ] } "species" { "source-value" [ "U" "U" "U" "U" "Si" "Si" "Si" "Si" "Rh" "Rh" "Rh" "Rh" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.81279374 "source-unit" "angstrom" } "b" { "source-value" 7.13791124 "source-unit" "angstrom" } "c" { "source-value" 7.46479015 "source-unit" "angstrom" } }