{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.125161 0 ] [ 0.25817 0.782497 0.75 ] [ 0 0.874839 0.5 ] [ 0 0.874839 0 ] [ 0.74183 0.217503 0.25 ] [ 0 0.125161 0.5 ] [ 0.389754 0 0.25 ] [ 0.74183 0.782497 0.25 ] [ 0.25817 0.217503 0.75 ] [ 0.610246 0 0.75 ] [ 0.5 0.625161 0 ] [ 0.75817 0.282497 0.75 ] [ 0.5 0.374839 0.5 ] [ 0.5 0.374839 0 ] [ 0.24183 0.717503 0.25 ] [ 0.5 0.625161 0.5 ] [ 0.889754 0.5 0.25 ] [ 0.24183 0.282497 0.25 ] [ 0.75817 0.717503 0.75 ] [ 0.110246 0.5 0.75 ] [ 0.882206 0 0.25 ] [ 0.5 0.147386 0 ] [ 0.5 0.147386 0.5 ] [ 0.117794 0 0.75 ] [ 0.5 0.852614 0 ] [ 0.5 0.852614 0.5 ] [ 0.382206 0.5 0.25 ] [ 0 0.647386 0 ] [ 0 0.647386 0.5 ] [ 0.617794 0.5 0.75 ] [ 0 0.352614 0 ] [ 0 0.352614 0.5 ] [ 0.670272 0 0.438814 ] [ 0.670272 0 0.061186 ] [ 0.329728 0 0.938814 ] [ 0.329728 0 0.561186 ] [ 0.170272 0.5 0.438814 ] [ 0.170272 0.5 0.061186 ] [ 0.829728 0.5 0.938814 ] [ 0.829728 0.5 0.561186 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.88966953 "source-unit" "angstrom" } "b" { "source-value" 14.26221632 "source-unit" "angstrom" } "c" { "source-value" 10.47881838 "source-unit" "angstrom" } }