{ "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" [ [ 0.253289 0.75 0.089441 ] [ 0.770656 0.973402 0.268896 ] [ 0.770656 0.526598 0.268896 ] [ 0.229344 0.473402 0.731104 ] [ 0.229344 0.026598 0.731104 ] [ 0.746711 0.25 0.910559 ] [ 0.210447 0.25 0.324511 ] [ 0.789553 0.75 0.675489 ] [ 0.292876 0.75 0.416734 ] [ 0.707124 0.25 0.583266 ] [ 0.285724 0.25 0.027873 ] [ 0.714276 0.75 0.972127 ] [ 0.657032 0.75 0.116736 ] [ 0.044458 0.25 0.065837 ] [ 0.475396 0.25 0.135739 ] [ 0.179217 0.944875 0.298761 ] [ 0.179217 0.555125 0.298761 ] [ 0.631921 0.75 0.435816 ] [ 0.81754 0.25 0.400998 ] [ 0.18246 0.75 0.599002 ] [ 0.368079 0.25 0.564184 ] [ 0.820783 0.444875 0.701239 ] [ 0.820783 0.055125 0.701239 ] [ 0.524604 0.75 0.864261 ] [ 0.955542 0.75 0.934163 ] [ 0.342968 0.25 0.883264 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "As" "As" "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" 5.11443082 "source-unit" "angstrom" } "b" { "source-value" 6.65631244 "source-unit" "angstrom" } "c" { "source-value" 8.65928233 "source-unit" "angstrom" } "beta" { "source-value" 93.97539702 "source-unit" "degree" } }