{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.184349 0 ] [ 0 0.815651 0 ] [ 0.5 0 0.5 ] [ 0.5 0.684349 0 ] [ 0.5 0.315651 0 ] [ 0 0.5 0.5 ] [ 0.5 0.872009 0.5 ] [ 0.5 0.127991 0.5 ] [ 0 0.372009 0.5 ] [ 0 0.627991 0.5 ] [ 0 0.08935 0.5 ] [ 0 0.91065 0.5 ] [ 0.5 0.78151 0.5 ] [ 0.5 0.21849 0.5 ] [ 0 0 0 ] [ 0.5 0.089208 0 ] [ 0.5 0.910792 0 ] [ 0.5 0.58935 0.5 ] [ 0.5 0.41065 0.5 ] [ 0 0.28151 0.5 ] [ 0 0.71849 0.5 ] [ 0.5 0.5 0 ] [ 0 0.589208 0 ] [ 0 0.410792 0 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "Ni" "Ni" "Ni" "Ni" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.65598139699 "source-unit" "angstrom" } "b" { "source-value" 27.7978056327 "source-unit" "angstrom" } "c" { "source-value" 4.65422597 "source-unit" "angstrom" } }