{ "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 0.690655 0.5 ] [ 0 0.309345 0.5 ] [ 0.5 0.190655 0.5 ] [ 0.5 0.809345 0.5 ] [ 0.214549 0 0.907076 ] [ 0.785451 0 0.092924 ] [ 0.714549 0.5 0.907076 ] [ 0.285451 0.5 0.092924 ] [ 0.221872 0.152069 0.722922 ] [ 0.778128 0.152069 0.277078 ] [ 0.778128 0.847931 0.277078 ] [ 0.221872 0.847931 0.722922 ] [ 0.619886 0 0.78722 ] [ 0 0 0 ] [ 0.380114 0 0.21278 ] [ 0.721872 0.652069 0.722922 ] [ 0.278128 0.652069 0.277078 ] [ 0.278128 0.347931 0.277078 ] [ 0.721872 0.347931 0.722922 ] [ 0.119886 0.5 0.78722 ] [ 0.5 0.5 0 ] [ 0.880114 0.5 0.21278 ] ] } "species" { "source-value" [ "Zn" "Zn" "Zn" "Zn" "P" "P" "P" "P" "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" 6.6525299831 "source-unit" "angstrom" } "b" { "source-value" 8.38863049064 "source-unit" "angstrom" } "c" { "source-value" 4.55848954487 "source-unit" "angstrom" } "beta" { "source-value" 104.745956553 "source-unit" "degree" } }