{ "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" [ [ 0.944653 0.25 0.276204 ] [ 0.055347 0.75 0.723796 ] [ 0.467814 0.75 0.227169 ] [ 0.532186 0.25 0.772831 ] [ 0.409548 0.25 0.09557 ] [ 0.920623 0.75 0.405726 ] [ 0.079377 0.25 0.594274 ] [ 0.590452 0.75 0.90443 ] [ 0.66479 0.75 0.055213 ] [ 0.728573 0.25 0.113356 ] [ 0.274093 0.04429 0.170681 ] [ 0.274093 0.45571 0.170681 ] [ 0.764102 0.950326 0.329214 ] [ 0.764102 0.549674 0.329214 ] [ 0.230679 0.75 0.388969 ] [ 0.153965 0.25 0.444114 ] [ 0.846035 0.75 0.555886 ] [ 0.769321 0.25 0.611031 ] [ 0.235898 0.049674 0.670786 ] [ 0.235898 0.450326 0.670786 ] [ 0.725907 0.54429 0.829319 ] [ 0.725907 0.95571 0.829319 ] [ 0.271427 0.75 0.886644 ] [ 0.33521 0.25 0.944787 ] ] } "species" { "source-value" [ "Mn" "Mn" "Cr" "Cr" "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" 4.84241851 "source-unit" "angstrom" } "b" { "source-value" 5.89648209 "source-unit" "angstrom" } "c" { "source-value" 9.86257632 "source-unit" "angstrom" } "beta" { "source-value" 91.38336973 "source-unit" "degree" } }