{ "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" [ [ 0.762467 0.25 0.077896 ] [ 0.258636 0.011101 0.272091 ] [ 0.258636 0.488899 0.272091 ] [ 0.741364 0.511101 0.727909 ] [ 0.741364 0.988899 0.727909 ] [ 0.237533 0.75 0.922104 ] [ 0.773988 0.75 0.364785 ] [ 0.226012 0.25 0.635215 ] [ 0.718586 0.25 0.425868 ] [ 0.281414 0.75 0.574132 ] [ 0.74059 0.75 0.087242 ] [ 0.25941 0.25 0.912758 ] [ 0.263763 0.25 0.046764 ] [ 0.942318 0.75 0.155962 ] [ 0.54359 0.75 0.157936 ] [ 0.759407 0.070081 0.333954 ] [ 0.759407 0.429919 0.333954 ] [ 0.452732 0.25 0.475641 ] [ 0.112332 0.75 0.445949 ] [ 0.887668 0.25 0.554051 ] [ 0.547268 0.75 0.524359 ] [ 0.240593 0.570081 0.666046 ] [ 0.240593 0.929919 0.666046 ] [ 0.45641 0.25 0.842064 ] [ 0.057682 0.25 0.844038 ] [ 0.736237 0.75 0.953236 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "Zn" "Zn" "P" "P" "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" 5.60628431 "source-unit" "angstrom" } "b" { "source-value" 7.01203265 "source-unit" "angstrom" } "c" { "source-value" 9.68220346 "source-unit" "angstrom" } "beta" { "source-value" 90.63351952 "source-unit" "degree" } }