{ "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" [ [ 0.035312 0 0.72335 ] [ 0.479799 0 0.228474 ] [ 0.542249 0.5 0.779308 ] [ 0.979546 0.5 0.267958 ] [ 0.104699 0.5 0.599717 ] [ 0.410544 0.5 0.095153 ] [ 0.560936 0 0.907981 ] [ 0.915575 0 0.398687 ] [ 0.140973 0.5 0.450075 ] [ 0.264423 0.302817 0.671598 ] [ 0.264423 0.697183 0.671598 ] [ 0.220045 0 0.372319 ] [ 0.256877 0 0.89444 ] [ 0.266509 0.298177 0.169313 ] [ 0.266509 0.701823 0.169313 ] [ 0.335555 0.5 0.946424 ] [ 0.653246 0 0.052288 ] [ 0.699052 0.791134 0.832414 ] [ 0.699052 0.208866 0.832414 ] [ 0.716944 0.5 0.117295 ] [ 0.799123 0.5 0.631354 ] [ 0.76865 0.796752 0.322623 ] [ 0.76865 0.203248 0.322623 ] [ 0.851311 0 0.543284 ] ] } "species" { "source-value" [ "Mn" "V" "V" "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" 4.92036074 "source-unit" "angstrom" } "b" { "source-value" 5.91865591 "source-unit" "angstrom" } "c" { "source-value" 10.10035571 "source-unit" "angstrom" } "beta" { "source-value" 90.68985819 "source-unit" "degree" } }