{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.772914 0.255966 0.81103 ] [ 0.227086 0.744034 0.18897 ] [ 0.5 0.5 0.5 ] [ 0.136257 0.851969 0.723645 ] [ 0.863743 0.148031 0.276355 ] [ 0.733076 0.297104 0.507514 ] [ 0.266924 0.702896 0.492486 ] [ 0.627951 0.811074 0.151371 ] [ 0.372049 0.188926 0.848629 ] [ 0.912386 0.353459 0.122519 ] [ 0.818026 0.869822 0.665502 ] [ 0.181974 0.130178 0.334498 ] [ 0.087614 0.646541 0.877481 ] ] } "species" { "source-value" [ "Zn" "Zn" "Cu" "As" "As" "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" 5.15778184037 "source-unit" "angstrom" } "b" { "source-value" 5.41754272047 "source-unit" "angstrom" } "c" { "source-value" 6.85696137746 "source-unit" "angstrom" } "alpha" { "source-value" 110.106581415 "source-unit" "degree" } "beta" { "source-value" 87.2960625251 "source-unit" "degree" } "gamma" { "source-value" 112.306236739 "source-unit" "degree" } }