{ "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 ] [ 0.5 0.5 0 ] [ 0.506171 0 0.23644 ] [ 0.493829 0 0.76356 ] [ 0.006171 0.5 0.23644 ] [ 0.993829 0.5 0.76356 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.015885 0.205441 0.312688 ] [ 0.984115 0.205441 0.687312 ] [ 0.984115 0.794559 0.687312 ] [ 0.015885 0.794559 0.312688 ] [ 0.5 0 0.5 ] [ 0 0.671185 0 ] [ 0 0.328815 0 ] [ 0.246388 0 0.647498 ] [ 0.753612 0 0.352502 ] [ 0.267333 0 0.109132 ] [ 0.732667 0 0.890868 ] [ 0.515885 0.705441 0.312688 ] [ 0.484115 0.705441 0.687312 ] [ 0.484115 0.294559 0.687312 ] [ 0.515885 0.294559 0.312688 ] [ 0 0.5 0.5 ] [ 0.5 0.171185 0 ] [ 0.5 0.828815 0 ] [ 0.746388 0.5 0.647498 ] [ 0.253612 0.5 0.352502 ] [ 0.767333 0.5 0.109132 ] [ 0.232667 0.5 0.890868 ] ] } "species" { "source-value" [ "Na" "Na" "Zr" "Zr" "Zr" "Zr" "Co" "Co" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.26672338124 "source-unit" "angstrom" } "b" { "source-value" 6.83387151301 "source-unit" "angstrom" } "c" { "source-value" 7.89397834791 "source-unit" "angstrom" } "beta" { "source-value" 116.356022942 "source-unit" "degree" } }