{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.24606 0.277051 0.7368 ] [ 0.24606 0.722949 0.7368 ] [ 0.752262 0.776016 0.266032 ] [ 0.752262 0.223984 0.266032 ] [ 0.234387 0 0.09696 ] [ 0.784503 0 0.657841 ] [ 0.212835 0.5 0.335243 ] [ 0.734681 0.5 0.580984 ] [ 0.277072 0 0.411853 ] [ 0.704137 0 0.963246 ] [ 0.289985 0.5 0.046558 ] [ 0.950382 0 0.930644 ] [ 0.326552 0.5 0.900912 ] [ 0.51621 0 0.847822 ] [ 0.837628 0.312333 0.672795 ] [ 0.837628 0.687667 0.672795 ] [ 0.187439 0 0.582387 ] [ 0.418209 0.5 0.557528 ] [ 0.588962 0 0.423347 ] [ 0.831693 0.5 0.409239 ] [ 0.169285 0.182455 0.311121 ] [ 0.169285 0.817545 0.311121 ] [ 0.485824 0.5 0.160027 ] [ 0.636517 0 0.108561 ] [ 0.054574 0.5 0.102511 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "P" "P" "C" "C" "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" 5.02636291 "source-unit" "angstrom" } "b" { "source-value" 6.63206798 "source-unit" "angstrom" } "c" { "source-value" 8.46242809 "source-unit" "angstrom" } "beta" { "source-value" 94.49797297 "source-unit" "degree" } }