{ "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 0 ] [ 0.5 0.5 0 ] [ 0.331664 0 0.320694 ] [ 0.668336 0 0.679306 ] [ 0 0 0.5 ] [ 0.831664 0.5 0.320694 ] [ 0.168336 0.5 0.679306 ] [ 0.5 0.5 0.5 ] [ 0.661314 0 0.209497 ] [ 0.338686 0 0.790503 ] [ 0.161314 0.5 0.209497 ] [ 0.838686 0.5 0.790503 ] [ 0.244059 0 0.607088 ] [ 0.762639 0 0.050421 ] [ 0.94549 0.724774 0.796619 ] [ 0.05451 0.724774 0.203381 ] [ 0.237361 0 0.949579 ] [ 0.94549 0.275226 0.796619 ] [ 0.05451 0.275226 0.203381 ] [ 0.755941 0 0.392912 ] [ 0.744059 0.5 0.607088 ] [ 0.262639 0.5 0.050421 ] [ 0.44549 0.224774 0.796619 ] [ 0.55451 0.224774 0.203381 ] [ 0.737361 0.5 0.949579 ] [ 0.44549 0.775226 0.796619 ] [ 0.55451 0.775226 0.203381 ] [ 0.255941 0.5 0.392912 ] ] } "species" { "source-value" [ "In" "In" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "P" "P" "P" "P" "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" 8.84058957875 "source-unit" "angstrom" } "b" { "source-value" 5.60994650722 "source-unit" "angstrom" } "c" { "source-value" 7.45724301038 "source-unit" "angstrom" } "beta" { "source-value" 94.1922558799 "source-unit" "degree" } }