{ "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" [ [ 0.000171 0.249227 0.999652 ] [ 0.000171 0.750773 0.999652 ] [ 0.50062 0.749004 0.499158 ] [ 0.50062 0.250996 0.499158 ] [ 0.028138 0 0.718285 ] [ 0.473437 0 0.220394 ] [ 0.527685 0.5 0.780293 ] [ 0.978035 0.5 0.276887 ] [ 0.089387 0.5 0.590802 ] [ 0.409734 0.5 0.093343 ] [ 0.589995 0 0.90829 ] [ 0.909387 0 0.408164 ] [ 0.209768 0.5 0.454106 ] [ 0.223407 0.299703 0.660492 ] [ 0.223407 0.700297 0.660492 ] [ 0.230661 0 0.404028 ] [ 0.269297 0 0.904234 ] [ 0.274379 0.299401 0.162559 ] [ 0.274379 0.700599 0.162559 ] [ 0.289809 0.5 0.956471 ] [ 0.711402 0 0.045183 ] [ 0.723217 0.799316 0.839245 ] [ 0.723217 0.200684 0.839245 ] [ 0.730219 0.5 0.097461 ] [ 0.768792 0.5 0.596314 ] [ 0.776306 0.798961 0.339306 ] [ 0.776306 0.201039 0.339306 ] [ 0.788058 0 0.544924 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "V" "P" "P" "P" "P" "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" 4.78989459 "source-unit" "angstrom" } "b" { "source-value" 6.17036847 "source-unit" "angstrom" } "c" { "source-value" 10.55919677 "source-unit" "angstrom" } "beta" { "source-value" 90.02801229 "source-unit" "degree" } }