{ "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 0.810514 0.5 ] [ 0 0.189486 0.5 ] [ 0 0 0 ] [ 0.5 0.310514 0.5 ] [ 0.5 0.689486 0.5 ] [ 0.5 0.5 0 ] [ 0.137263 0.320726 0.881742 ] [ 0.862737 0.679274 0.118258 ] [ 0.862737 0.320726 0.118258 ] [ 0.137263 0.679274 0.881742 ] [ 0.637263 0.820726 0.881742 ] [ 0.362737 0.179274 0.118258 ] [ 0.362737 0.820726 0.118258 ] [ 0.637263 0.179274 0.881742 ] [ 0.387709 0 0.679413 ] [ 0.612291 0 0.320587 ] [ 0.887709 0.5 0.679413 ] [ 0.112291 0.5 0.320587 ] [ 0.705043 0.155559 0.198884 ] [ 0.294957 0.844441 0.801116 ] [ 0.699482 0 0.631728 ] [ 0.300518 0 0.368272 ] [ 0.705043 0.844441 0.198884 ] [ 0.294957 0.155559 0.801116 ] [ 0.205043 0.655559 0.198884 ] [ 0.794957 0.344441 0.801116 ] [ 0.199482 0.5 0.631728 ] [ 0.800518 0.5 0.368272 ] [ 0.205043 0.344441 0.198884 ] [ 0.794957 0.655559 0.801116 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ge" "Ge" "Ge" "Ge" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.1983227574 "source-unit" "angstrom" } "b" { "source-value" 10.1158230757 "source-unit" "angstrom" } "c" { "source-value" 6.36369632655 "source-unit" "angstrom" } "beta" { "source-value" 91.2970008012 "source-unit" "degree" } }