{ "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" [ [ 0.864888 0.5 0.512503 ] [ 0.808338 0.5 0.862673 ] [ 0.191662 0.5 0.137327 ] [ 0.968017 0 0.185641 ] [ 0.135112 0.5 0.487497 ] [ 0.031983 0 0.814359 ] [ 0.364888 0 0.512503 ] [ 0.308338 0 0.862673 ] [ 0.691662 0 0.137327 ] [ 0.468017 0.5 0.185641 ] [ 0.635112 0 0.487497 ] [ 0.531983 0.5 0.814359 ] [ 0.872437 0 0.7187 ] [ 0.792985 0 0.377456 ] [ 0.970246 0.5 0.342691 ] [ 0.127563 0 0.2813 ] [ 0.174397 0 0.968856 ] [ 0 0.5 0 ] [ 0.825603 0 0.031144 ] [ 0.207015 0 0.622544 ] [ 0.029754 0.5 0.657309 ] [ 0.372437 0.5 0.7187 ] [ 0.292985 0.5 0.377456 ] [ 0.470246 0 0.342691 ] [ 0.627563 0.5 0.2813 ] [ 0.674397 0.5 0.968856 ] [ 0.5 0 0 ] [ 0.325603 0.5 0.031144 ] [ 0.707015 0.5 0.622544 ] [ 0.529754 0 0.657309 ] ] } "species" { "source-value" [ "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "O" "O" "O" "O" "O" "O" "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" 13.8718240964 "source-unit" "angstrom" } "b" { "source-value" 3.43365893 "source-unit" "angstrom" } "c" { "source-value" 8.50942529981 "source-unit" "angstrom" } "beta" { "source-value" 100.370446893 "source-unit" "degree" } }