{ "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" [ [ 0.5 0.194334 0 ] [ 0.5 0.805666 0 ] [ 0 0.694334 0 ] [ 0 0.305666 0 ] [ 0 0.94726 0.5 ] [ 0 0.05274 0.5 ] [ 0.5 0.44726 0.5 ] [ 0.5 0.55274 0.5 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0 0.786648 0.5 ] [ 0 0.213352 0.5 ] [ 0.5 0.889094 0.5 ] [ 0.5 0.110906 0.5 ] [ 0 0.889328 0 ] [ 0 0.110672 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.286648 0.5 ] [ 0.5 0.713352 0.5 ] [ 0 0.389094 0.5 ] [ 0 0.610906 0.5 ] [ 0.5 0.389328 0 ] [ 0.5 0.610672 0 ] ] } "species" { "source-value" [ "Lu" "Lu" "Lu" "Lu" "Ni" "Ni" "Ni" "Ni" "Sn" "Sn" "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" 4.43667459197 "source-unit" "angstrom" } "b" { "source-value" 28.2038446731 "source-unit" "angstrom" } "c" { "source-value" 4.45063628 "source-unit" "angstrom" } }