{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.166763 0 0.202786 ] [ 0.082069 0.748255 0.703996 ] [ 0.082069 0.251745 0.703996 ] [ 0.666763 0.5 0.202786 ] [ 0.582069 0.248255 0.703996 ] [ 0.582069 0.751745 0.703996 ] [ 0.913171 0.747747 0.216916 ] [ 0.913171 0.252253 0.216916 ] [ 0.82938 0 0.724756 ] [ 0.413171 0.247747 0.216916 ] [ 0.413171 0.752253 0.216916 ] [ 0.32938 0.5 0.724756 ] [ 0.329407 0 0.494405 ] [ 0.660493 0 0.990629 ] [ 0.829407 0.5 0.494405 ] [ 0.160493 0.5 0.990629 ] [ 0.917805 0.747996 0.603495 ] [ 0.479651 0 0.340332 ] [ 0.333891 0 0.10945 ] [ 0.002927 0 0.300382 ] [ 0.997631 0 0.801093 ] [ 0.917805 0.252004 0.603495 ] [ 0.258976 0.214813 0.335174 ] [ 0.258976 0.785187 0.335174 ] [ 0.830969 0 0.102162 ] [ 0.162678 0 0.606063 ] [ 0.7422 0.217354 0.837952 ] [ 0.7422 0.782646 0.837952 ] [ 0.673705 0 0.61114 ] [ 0.083694 0.754089 0.10242 ] [ 0.524768 0 0.830189 ] [ 0.083694 0.245911 0.10242 ] [ 0.417805 0.247996 0.603495 ] [ 0.979651 0.5 0.340332 ] [ 0.833891 0.5 0.10945 ] [ 0.502927 0.5 0.300382 ] [ 0.497631 0.5 0.801093 ] [ 0.417805 0.752004 0.603495 ] [ 0.758976 0.714813 0.335174 ] [ 0.758976 0.285187 0.335174 ] [ 0.330969 0.5 0.102162 ] [ 0.662678 0.5 0.606063 ] [ 0.2422 0.717354 0.837952 ] [ 0.2422 0.282646 0.837952 ] [ 0.173705 0.5 0.61114 ] [ 0.583694 0.254089 0.10242 ] [ 0.024768 0.5 0.830189 ] [ 0.583694 0.745911 0.10242 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Sb" "Sb" "Sb" "Sb" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 9.99249768 "source-unit" "angstrom" } "b" { "source-value" 5.8175234 "source-unit" "angstrom" } "c" { "source-value" 9.29624139 "source-unit" "angstrom" } "beta" { "source-value" 90.46940912 "source-unit" "degree" } }