{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmc2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.719927 0.144432 ] [ 0 0.780073 0.644432 ] [ 0.5 0.950487 0.347749 ] [ 0.5 0.049513 0.847749 ] [ 0 0.219927 0.144432 ] [ 0.5 0.280073 0.644432 ] [ 0 0.450487 0.347749 ] [ 0 0.549513 0.847749 ] [ 0 0.89401 0.037208 ] [ 0 0.10599 0.537208 ] [ 0.5 0.39401 0.037208 ] [ 0.5 0.60599 0.537208 ] [ 0 0.960349 0.63569 ] [ 0 0.737355 0.983308 ] [ 0.5 0.650064 0.792531 ] [ 0.5 0.762645 0.483308 ] [ 0 0.849936 0.292531 ] [ 0.5 0.105956 0.496382 ] [ 0 0.039651 0.13569 ] [ 0.5 0.894044 0.996382 ] [ 0.5 0.460349 0.63569 ] [ 0.5 0.237355 0.983308 ] [ 0 0.150064 0.792531 ] [ 0 0.262645 0.483308 ] [ 0.5 0.349936 0.292531 ] [ 0 0.605956 0.496382 ] [ 0.5 0.539651 0.13569 ] [ 0 0.394044 0.996382 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "La" "La" "Ni" "Ni" "Ni" "Ni" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.96532978 "source-unit" "angstrom" } "b" { "source-value" 13.58820532 "source-unit" "angstrom" } "c" { "source-value" 7.34320239 "source-unit" "angstrom" } }