{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.831271 0.976789 ] [ 0 0.168729 0.023211 ] [ 0 0.168729 0.476789 ] [ 0 0.831271 0.523211 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0.5 0.331271 0.976789 ] [ 0.5 0.668729 0.023211 ] [ 0.5 0.668729 0.476789 ] [ 0.5 0.331271 0.523211 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0.159252 0.86807 ] [ 0.5 0.840748 0.13193 ] [ 0.5 0.840748 0.36807 ] [ 0.5 0.159252 0.63193 ] [ 0 0.020505 0.868118 ] [ 0 0.979495 0.131882 ] [ 0 0.979495 0.368118 ] [ 0 0.020505 0.631882 ] [ 0 0.839573 0.75 ] [ 0 0.160427 0.25 ] [ 0 0.659252 0.86807 ] [ 0 0.340748 0.13193 ] [ 0 0.340748 0.36807 ] [ 0 0.659252 0.63193 ] [ 0.5 0.520505 0.868118 ] [ 0.5 0.479495 0.131882 ] [ 0.5 0.479495 0.368118 ] [ 0.5 0.520505 0.631882 ] [ 0.5 0.339573 0.75 ] [ 0.5 0.660427 0.25 ] [ 0 0.210661 0.75 ] [ 0 0.789339 0.25 ] [ 0.5 0.962592 0.75 ] [ 0.5 0.037408 0.25 ] [ 0.5 0.710661 0.75 ] [ 0.5 0.289339 0.25 ] [ 0 0.462592 0.75 ] [ 0 0.537408 0.25 ] ] } "species" { "source-value" [ "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.90476633 "source-unit" "angstrom" } "b" { "source-value" 12.13554184 "source-unit" "angstrom" } "c" { "source-value" 11.15499113 "source-unit" "angstrom" } }