{ "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 0.5 ] [ 0.25 0.25 0 ] [ 0.75 0.25 0 ] [ 0 0 0.5 ] [ 0.5 0 0.5 ] [ 0.75 0.75 0 ] [ 0.25 0.75 0 ] [ 0.5 0.5 0.5 ] [ 0.25 0.75 0.5 ] [ 0.25 0.25 0.5 ] [ 0.5 0 0 ] [ 0.75 0.25 0.5 ] [ 0.75 0.75 0.5 ] [ 0 0.5 0 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.74905 0.5 0.698068 ] [ 0.014358 0.239547 0.25593 ] [ 0.014358 0.760453 0.25593 ] [ 0.25095 0.5 0.301932 ] [ 0.755507 0 0.779703 ] [ 0.985642 0.760453 0.74407 ] [ 0.985642 0.239547 0.74407 ] [ 0.244493 0 0.220297 ] [ 0.24905 0 0.698068 ] [ 0.514358 0.739547 0.25593 ] [ 0.514358 0.260453 0.25593 ] [ 0.75095 0 0.301932 ] [ 0.255507 0.5 0.779703 ] [ 0.485642 0.260453 0.74407 ] [ 0.485642 0.739547 0.74407 ] [ 0.744493 0.5 0.220297 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Sn" "Sn" "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" 10.36320201 "source-unit" "angstrom" } "b" { "source-value" 6.24194354 "source-unit" "angstrom" } "c" { "source-value" 6.1791534 "source-unit" "angstrom" } "beta" { "source-value" 125.2316163 "source-unit" "degree" } }