{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.977539 0.095185 0.75 ] [ 0.477539 0.404815 0.25 ] [ 0.522461 0.595185 0.75 ] [ 0.022461 0.904815 0.25 ] [ 0.312535 0.904222 0.75 ] [ 0.812535 0.595778 0.25 ] [ 0.187465 0.404222 0.75 ] [ 0.687465 0.095778 0.25 ] [ 0.313819 0.693575 0.084244 ] [ 0.813819 0.806425 0.915756 ] [ 0.186181 0.193575 0.415756 ] [ 0.686181 0.306425 0.584244 ] [ 0.313819 0.693575 0.415756 ] [ 0.813819 0.806425 0.584244 ] [ 0.186181 0.193575 0.084244 ] [ 0.686181 0.306425 0.915756 ] ] } "species" { "source-value" [ "Yb" "Yb" "Yb" "Yb" "La" "La" "La" "La" "S" "S" "S" "S" "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" 7.16184664 "source-unit" "angstrom" } "b" { "source-value" 7.77343733 "source-unit" "angstrom" } "c" { "source-value" 9.02492446 "source-unit" "angstrom" } }