{ "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" [ [ 0.688652 0.75 0.959587 ] [ 0.311348 0.25 0.040413 ] [ 0.261274 0.75 0.716811 ] [ 0.738726 0.25 0.283189 ] [ 0.200216 0.411569 0.289502 ] [ 0.799784 0.911569 0.710498 ] [ 0.799784 0.588431 0.710498 ] [ 0.200216 0.088431 0.289502 ] [ 0.279794 0.591578 0.195142 ] [ 0.720206 0.091578 0.804858 ] [ 0.835579 0.078745 0.164769 ] [ 0.164421 0.578745 0.835231 ] [ 0.164421 0.921255 0.835231 ] [ 0.835579 0.421255 0.164769 ] [ 0.279794 0.908422 0.195142 ] [ 0.720206 0.408422 0.804858 ] [ 0.315469 0.402114 0.686861 ] [ 0.684531 0.902114 0.313139 ] [ 0.684531 0.597886 0.313139 ] [ 0.315469 0.097886 0.686861 ] [ 0.073274 0.75 0.318862 ] [ 0.926726 0.25 0.681138 ] ] } "species" { "source-value" [ "Sn" "Sn" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "Au" "Au" "Au" "Au" "Au" "Au" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.39088004995 "source-unit" "angstrom" } "b" { "source-value" 11.14628919 "source-unit" "angstrom" } "c" { "source-value" 6.52046952064 "source-unit" "angstrom" } "beta" { "source-value" 108.825909313 "source-unit" "degree" } }