{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.778254 0 0.887325 ] [ 0.221746 0 0.112675 ] [ 0.278254 0.5 0.887325 ] [ 0.721746 0.5 0.112675 ] [ 0.362236 0 0.730875 ] [ 0.637764 0 0.269125 ] [ 0.862236 0.5 0.730875 ] [ 0.137764 0.5 0.269125 ] [ 0.989707 0 0.232335 ] [ 0.010293 0 0.767665 ] [ 0.489707 0.5 0.232335 ] [ 0.510293 0.5 0.767665 ] [ 0.45639 0 0.201358 ] [ 0.293525 0 0.463587 ] [ 0.299969 0.191449 0.846587 ] [ 0.299969 0.808551 0.846587 ] [ 0.706475 0 0.536413 ] [ 0.700031 0.808551 0.153413 ] [ 0.700031 0.191449 0.153413 ] [ 0.54361 0 0.798642 ] [ 0.95639 0.5 0.201358 ] [ 0.793525 0.5 0.463587 ] [ 0.799969 0.691449 0.846587 ] [ 0.799969 0.308551 0.846587 ] [ 0.206475 0.5 0.536413 ] [ 0.200031 0.308551 0.153413 ] [ 0.200031 0.691449 0.153413 ] [ 0.04361 0.5 0.798642 ] ] } "species" { "source-value" [ "Ho" "Ho" "Ho" "Ho" "Mo" "Mo" "Mo" "Mo" "Cl" "Cl" "Cl" "Cl" "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" 10.2781039956 "source-unit" "angstrom" } "b" { "source-value" 7.29697009888 "source-unit" "angstrom" } "c" { "source-value" 6.91213248715 "source-unit" "angstrom" } "beta" { "source-value" 107.348102942 "source-unit" "degree" } }