{ "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 0.749705 0 ] [ 0 0.250295 0 ] [ 0.5 0.249705 0 ] [ 0.5 0.750295 0 ] [ 0.810458 0 0.274394 ] [ 0.189542 0 0.725606 ] [ 0.310458 0.5 0.274394 ] [ 0.689542 0.5 0.725606 ] [ 0.844889 0.201801 0.415647 ] [ 0.844889 0.798199 0.415647 ] [ 0.155111 0.798199 0.584353 ] [ 0.155111 0.201801 0.584353 ] [ 0.344889 0.701801 0.415647 ] [ 0.344889 0.298199 0.415647 ] [ 0.655111 0.298199 0.584353 ] [ 0.655111 0.701801 0.584353 ] [ 0.916837 0 0.1443 ] [ 0.083163 0 0.8557 ] [ 0.643621 0 0.157089 ] [ 0.356379 0 0.842911 ] [ 0.416837 0.5 0.1443 ] [ 0.583163 0.5 0.8557 ] [ 0.143621 0.5 0.157089 ] [ 0.856379 0.5 0.842911 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "P" "P" "P" "P" "H" "H" "H" "H" "H" "H" "H" "H" "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" 9.49384106535 "source-unit" "angstrom" } "b" { "source-value" 5.51174608 "source-unit" "angstrom" } "c" { "source-value" 6.58948873875 "source-unit" "angstrom" } "beta" { "source-value" 108.751538965 "source-unit" "degree" } }