{ "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 0.835757 0.25 ] [ 0 0.164243 0.75 ] [ 0.5 0.335757 0.25 ] [ 0.5 0.664243 0.75 ] [ 0 0.806835 0.932999 ] [ 0 0.193165 0.432999 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.951664 0.644762 ] [ 0.5 0.048336 0.355238 ] [ 0.5 0.048336 0.144762 ] [ 0 0.806835 0.567001 ] [ 0 0.193165 0.067001 ] [ 0.5 0.951664 0.855238 ] [ 0.5 0.306835 0.932999 ] [ 0.5 0.693165 0.432999 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0.451664 0.644762 ] [ 0 0.548336 0.355238 ] [ 0 0.548336 0.144762 ] [ 0.5 0.306835 0.567001 ] [ 0.5 0.693165 0.067001 ] [ 0 0.451664 0.855238 ] [ 0.5 0.879071 0.45923 ] [ 0 0.886571 0.75 ] [ 0.5 0.879071 0.04077 ] [ 0.5 0.120929 0.95923 ] [ 0 0.113429 0.25 ] [ 0.5 0.120929 0.54077 ] [ 0 0.379071 0.45923 ] [ 0.5 0.386571 0.75 ] [ 0 0.379071 0.04077 ] [ 0 0.620929 0.95923 ] [ 0.5 0.613429 0.25 ] [ 0 0.620929 0.54077 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.76199111 "source-unit" "angstrom" } "b" { "source-value" 12.23808456 "source-unit" "angstrom" } "c" { "source-value" 11.94685189 "source-unit" "angstrom" } }