{ "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" [ [ 0.257698 0.75 0.085872 ] [ 0.742302 0.25 0.914128 ] [ 0.969764 0.25 0.140527 ] [ 0.030236 0.75 0.859473 ] [ 0.343173 0.75 0.526526 ] [ 0.656827 0.25 0.473474 ] [ 0.158845 0.75 0.696744 ] [ 0.841155 0.25 0.303256 ] [ 0.800414 0.75 0.90709 ] [ 0.143305 0.75 0.451455 ] [ 0.532749 0.25 0.847559 ] [ 0.314048 0.75 0.640633 ] [ 0.950862 0.25 0.263252 ] [ 0.467251 0.75 0.152441 ] [ 0.199586 0.25 0.09291 ] [ 0.030233 0.75 0.134902 ] [ 0.856695 0.25 0.548545 ] [ 0.241538 0.75 0.955088 ] [ 0.969767 0.25 0.865098 ] [ 0.685952 0.25 0.359367 ] [ 0.413738 0.25 0.51727 ] [ 0.586262 0.75 0.48273 ] [ 0.758462 0.25 0.044912 ] [ 0.049138 0.75 0.736748 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "H" "H" "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" 7.04468438031 "source-unit" "angstrom" } "b" { "source-value" 3.78293036 "source-unit" "angstrom" } "c" { "source-value" 13.9309204995 "source-unit" "angstrom" } "beta" { "source-value" 100.912169232 "source-unit" "degree" } }