{ "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 ] [ 0.750033 0.5 0.755615 ] [ 0 0.5 0.5 ] [ 0.749967 0 0.244385 ] [ 0.5 0.5 0 ] [ 0.250033 0 0.755615 ] [ 0.5 0 0.5 ] [ 0.249967 0.5 0.244385 ] [ 0.124741 0 0.374047 ] [ 0.875259 0 0.625953 ] [ 0.624741 0.5 0.374047 ] [ 0.375259 0.5 0.625953 ] [ 0.124621 0.5 0.873856 ] [ 0.875379 0.5 0.126144 ] [ 0.624621 0 0.873856 ] [ 0.375379 0 0.126144 ] [ 0.067404 0 0.684754 ] [ 0.817539 0 0.937966 ] [ 0.931041 0.5 0.812639 ] [ 0.818748 0.5 0.441681 ] [ 0.181252 0.5 0.558319 ] [ 0.182461 0 0.062034 ] [ 0.932596 0 0.315246 ] [ 0.068959 0.5 0.187361 ] [ 0.567404 0.5 0.684754 ] [ 0.317539 0.5 0.937966 ] [ 0.431041 0 0.812639 ] [ 0.318748 0 0.441681 ] [ 0.681252 0 0.558319 ] [ 0.682461 0.5 0.062034 ] [ 0.432596 0.5 0.315246 ] [ 0.568959 0 0.187361 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "Fe" "Fe" "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" 19.5963935 "source-unit" "angstrom" } "b" { "source-value" 2.97296702 "source-unit" "angstrom" } "c" { "source-value" 5.15944727 "source-unit" "angstrom" } "beta" { "source-value" 95.4371614 "source-unit" "degree" } }