{ "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 0.5 ] [ 0.5 0.5 0.5 ] [ 0.25 0.25 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0 ] [ 0.75 0.75 0 ] [ 0 0.5 0.5 ] [ 0.25 0.75 0 ] [ 0.288357 0 0.939371 ] [ 0 0.255669 0.5 ] [ 0.5 0.244331 0.5 ] [ 0.211643 0.5 0.060629 ] [ 0.788357 0.5 0.939371 ] [ 0.5 0.755669 0.5 ] [ 0 0.744331 0.5 ] [ 0.711643 0 0.060629 ] ] } "species" { "source-value" [ "Li" "Li" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "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" 6.61466428 "source-unit" "angstrom" } "b" { "source-value" 8.35088931 "source-unit" "angstrom" } "c" { "source-value" 3.17624091 "source-unit" "angstrom" } "beta" { "source-value" 99.57450666 "source-unit" "degree" } }