{ "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" [ [ 0.471705 0.75 0.227908 ] [ 0.528295 0.25 0.772092 ] [ 0.968643 0.25 0.270681 ] [ 0.031357 0.75 0.729319 ] [ 0.409576 0.25 0.092309 ] [ 0.919667 0.75 0.404515 ] [ 0.080333 0.25 0.595485 ] [ 0.590424 0.75 0.907691 ] [ 0.66982 0.75 0.056152 ] [ 0.722816 0.25 0.115321 ] [ 0.266039 0.044953 0.169005 ] [ 0.266039 0.455047 0.169005 ] [ 0.767261 0.953445 0.327278 ] [ 0.767261 0.546555 0.327278 ] [ 0.23118 0.75 0.386386 ] [ 0.151869 0.25 0.446807 ] [ 0.848131 0.75 0.553193 ] [ 0.76882 0.25 0.613614 ] [ 0.232739 0.046555 0.672722 ] [ 0.232739 0.453445 0.672722 ] [ 0.733961 0.544953 0.830995 ] [ 0.733961 0.955047 0.830995 ] [ 0.277184 0.75 0.884679 ] [ 0.33018 0.25 0.943848 ] ] } "species" { "source-value" [ "Cr" "Cr" "Fe" "Fe" "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" 4.83731203 "source-unit" "angstrom" } "b" { "source-value" 5.84836325 "source-unit" "angstrom" } "c" { "source-value" 9.96540353 "source-unit" "angstrom" } "beta" { "source-value" 91.01495139 "source-unit" "degree" } }