{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.244589 0.474049 0.249278 ] [ 0.244589 0.025951 0.249278 ] [ 0.755411 0.525951 0.750722 ] [ 0.755411 0.974049 0.750722 ] [ 0.773414 0.75 0.358294 ] [ 0.226586 0.25 0.641706 ] [ 0.719509 0.25 0.4266 ] [ 0.280491 0.75 0.5734 ] [ 0.728543 0.75 0.10132 ] [ 0.271457 0.25 0.89868 ] [ 0.289304 0.25 0.029106 ] [ 0.94057 0.75 0.170846 ] [ 0.540151 0.75 0.189623 ] [ 0.75925 0.074102 0.340422 ] [ 0.75925 0.425898 0.340422 ] [ 0.110207 0.75 0.438948 ] [ 0.441617 0.25 0.479322 ] [ 0.558383 0.75 0.520678 ] [ 0.889793 0.25 0.561052 ] [ 0.24075 0.574102 0.659578 ] [ 0.24075 0.925898 0.659578 ] [ 0.459849 0.25 0.810377 ] [ 0.05943 0.25 0.829154 ] [ 0.710696 0.75 0.970894 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "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" 5.41649512 "source-unit" "angstrom" } "b" { "source-value" 7.30571622 "source-unit" "angstrom" } "c" { "source-value" 9.50103909 "source-unit" "angstrom" } "beta" { "source-value" 90.26757578 "source-unit" "degree" } }