{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.75 0 ] [ 0 0 0.5 ] [ 0.75 0.25 0 ] [ 0.25 0.25 0 ] [ 0.5 0.5 0.5 ] [ 0.25 0.75 0 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.75 0.75 0.5 ] [ 0.75 0.25 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.25 0.25 0.5 ] [ 0.25 0.75 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.245618 0.5 0.259998 ] [ 0.000459 0.253779 0.754921 ] [ 0.000459 0.746221 0.754921 ] [ 0.750746 0.5 0.273702 ] [ 0.249254 0.5 0.726298 ] [ 0.999541 0.253779 0.245079 ] [ 0.999541 0.746221 0.245079 ] [ 0.754382 0.5 0.740002 ] [ 0.745618 0 0.259998 ] [ 0.500459 0.753779 0.754921 ] [ 0.500459 0.246221 0.754921 ] [ 0.250746 0 0.273702 ] [ 0.749254 0 0.726298 ] [ 0.499541 0.753779 0.245079 ] [ 0.499541 0.246221 0.245079 ] [ 0.254382 0 0.740002 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Sn" "Sn" "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" 10.36478848 "source-unit" "angstrom" } "b" { "source-value" 5.97559222 "source-unit" "angstrom" } "c" { "source-value" 6.00486737 "source-unit" "angstrom" } "beta" { "source-value" 125.03250206 "source-unit" "degree" } }