{ "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 0 ] [ 0.386956 0 0.070311 ] [ 0.613044 0 0.929689 ] [ 0.778608 0 0.627586 ] [ 0.221392 0 0.372414 ] [ 0.922607 0.293583 0.682902 ] [ 0.077393 0.293583 0.317098 ] [ 0.077393 0.706417 0.317098 ] [ 0.922607 0.706417 0.682902 ] [ 0.823938 0.179292 0.198913 ] [ 0.176062 0.179292 0.801087 ] [ 0.176062 0.820708 0.801087 ] [ 0.823938 0.820708 0.198913 ] [ 0.5 0.5 0 ] [ 0.886956 0.5 0.070311 ] [ 0.113044 0.5 0.929689 ] [ 0.278608 0.5 0.627586 ] [ 0.721392 0.5 0.372414 ] [ 0.422607 0.793583 0.682902 ] [ 0.577393 0.793583 0.317098 ] [ 0.577393 0.206417 0.317098 ] [ 0.422607 0.206417 0.682902 ] [ 0.323938 0.679292 0.198913 ] [ 0.676062 0.679292 0.801087 ] [ 0.676062 0.320708 0.801087 ] [ 0.323938 0.320708 0.198913 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Co" "Co" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.8284459667 "source-unit" "angstrom" } "b" { "source-value" 7.60828947963 "source-unit" "angstrom" } "c" { "source-value" 5.05835396685 "source-unit" "angstrom" } "beta" { "source-value" 101.451295273 "source-unit" "degree" } }