{ "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" [ [ 0.766784 0 0.327803 ] [ 0.233216 0 0.672197 ] [ 0.266784 0.5 0.327803 ] [ 0.733216 0.5 0.672197 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.916477 0 0.265786 ] [ 0.247669 0.5 0.601098 ] [ 0.752331 0.5 0.398902 ] [ 0.13906 0.5 0.125925 ] [ 0.86094 0.5 0.874075 ] [ 0.083523 0 0.734214 ] [ 0.416477 0.5 0.265786 ] [ 0.747669 0 0.601098 ] [ 0.252331 0 0.398902 ] [ 0.63906 0 0.125925 ] [ 0.36094 0 0.874075 ] [ 0.583523 0.5 0.734214 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "Cd" "Cd" "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" 10.0875674399 "source-unit" "angstrom" } "b" { "source-value" 3.65814893003 "source-unit" "angstrom" } "c" { "source-value" 7.22040988582 "source-unit" "angstrom" } "beta" { "source-value" 102.873696906 "source-unit" "degree" } }