{ "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 0.5 0 ] [ 0.5 0 0 ] [ 0 0.332544 0.5 ] [ 0 0 0.5 ] [ 0 0.667456 0.5 ] [ 0.5 0.832544 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0.167456 0.5 ] [ 0.765596 0.836086 0.301742 ] [ 0.734404 0.663914 0.698258 ] [ 0.234404 0.836086 0.698258 ] [ 0.265596 0.663914 0.301742 ] [ 0.729997 0 0.696229 ] [ 0.270003 0 0.303771 ] [ 0.265596 0.336086 0.301742 ] [ 0.234404 0.163914 0.698258 ] [ 0.734404 0.336086 0.698258 ] [ 0.765596 0.163914 0.301742 ] [ 0.229997 0.5 0.696229 ] [ 0.770003 0.5 0.303771 ] ] } "species" { "source-value" [ "Li" "Li" "Co" "Co" "Co" "Co" "Co" "Co" "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" 4.85827816 "source-unit" "angstrom" } "b" { "source-value" 8.404754 "source-unit" "angstrom" } "c" { "source-value" 5.17055285 "source-unit" "angstrom" } "beta" { "source-value" 108.36284711 "source-unit" "degree" } }