{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.826283 0 0.000522 ] [ 0.498012 0 0.190461 ] [ 0.996216 0.5 0.317211 ] [ 0.318402 0.5 0.496693 ] [ 0.678049 0 0.512676 ] [ 0.996957 0 0.68132 ] [ 0.50502 0.5 0.81283 ] [ 0.183328 0.5 0.994519 ] [ 0.05729 0 0.124239 ] [ 0.553001 0.5 0.376347 ] [ 0.130784 0 0.449951 ] [ 0.868543 0.5 0.542032 ] [ 0.44028 0 0.62566 ] [ 0.694063 0 0.771111 ] [ 0.94445 0.5 0.877155 ] [ 0.372319 0 0.958955 ] [ 0.633514 0.5 0.050129 ] [ 0.313619 0.5 0.225551 ] [ 0.800237 0 0.26407 ] [ 0.189634 0.5 0.728566 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "N" "N" "N" "N" "N" "N" "N" "N" "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" 8.52896795 "source-unit" "angstrom" } "b" { "source-value" 3.15712768 "source-unit" "angstrom" } "c" { "source-value" 8.60600422 "source-unit" "angstrom" } "beta" { "source-value" 90.29679962 "source-unit" "degree" } }