{ "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 ] [ 0.373205 0 0.703245 ] [ 0.626795 0 0.296755 ] [ 0.873205 0.5 0.703245 ] [ 0.126795 0.5 0.296755 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.315769 0 0.893016 ] [ 0.97893 0.250583 0.680461 ] [ 0.02107 0.749417 0.319539 ] [ 0.97893 0.749417 0.680461 ] [ 0.226419 0 0.55729 ] [ 0.773581 0 0.44271 ] [ 0.02107 0.250583 0.319539 ] [ 0.684231 0 0.106984 ] [ 0.815769 0.5 0.893016 ] [ 0.47893 0.750583 0.680461 ] [ 0.52107 0.249417 0.319539 ] [ 0.47893 0.249417 0.680461 ] [ 0.726419 0.5 0.55729 ] [ 0.273581 0.5 0.44271 ] [ 0.52107 0.750583 0.319539 ] [ 0.184231 0.5 0.106984 ] ] } "species" { "source-value" [ "K" "K" "Cr" "Cr" "Cr" "Cr" "Fe" "Fe" "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" 8.82324255678 "source-unit" "angstrom" } "b" { "source-value" 5.57443001091 "source-unit" "angstrom" } "c" { "source-value" 7.90501072725 "source-unit" "angstrom" } "beta" { "source-value" 94.8261706115 "source-unit" "degree" } }