{ "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" [ [ 0.5 0 0.5 ] [ 0 0.174828 0.5 ] [ 0 0.825172 0.5 ] [ 0 0.5 0.5 ] [ 0.5 0.674828 0.5 ] [ 0.5 0.325172 0.5 ] [ 0.5 0.83434 0 ] [ 0.5 0.16566 0 ] [ 0 0.33434 0 ] [ 0 0.66566 0 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.774852 0.84214 0.794495 ] [ 0.754355 0 0.205335 ] [ 0.245645 0 0.794665 ] [ 0.774852 0.15786 0.794495 ] [ 0.225148 0.84214 0.205505 ] [ 0.225148 0.15786 0.205505 ] [ 0.274852 0.34214 0.794495 ] [ 0.254355 0.5 0.205335 ] [ 0.745645 0.5 0.794665 ] [ 0.274852 0.65786 0.794495 ] [ 0.725148 0.34214 0.205505 ] [ 0.725148 0.65786 0.205505 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Co" "Co" "Co" "Co" "Sb" "Sb" "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" 5.4160517477 "source-unit" "angstrom" } "b" { "source-value" 9.38953077175 "source-unit" "angstrom" } "c" { "source-value" 5.71428834388 "source-unit" "angstrom" } "beta" { "source-value" 108.502106683 "source-unit" "degree" } }