{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm2m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.706242 ] [ 0 0.705853 0.491901 ] [ 0 0.794147 0.991901 ] [ 0.5 0.751225 0.226214 ] [ 0.5 0.748775 0.726214 ] [ 0 0.5 0.79432 ] [ 0 0.5 0.206242 ] [ 0 0.205853 0.991901 ] [ 0 0.294147 0.491901 ] [ 0.5 0.251225 0.726214 ] [ 0.5 0.248775 0.226214 ] [ 0 0 0.29432 ] [ 0.5 0.5 0.500954 ] [ 0.5 0 0.503067 ] [ 0.5 0 0.000954 ] [ 0.5 0.5 0.003067 ] [ 0 0.748991 0.743443 ] [ 0 0.751009 0.243443 ] [ 0 0.248991 0.243443 ] [ 0 0.251009 0.743443 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "Cl" "Cl" "Cl" "Cl" "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" 5.27561381 "source-unit" "angstrom" } "b" { "source-value" 10.4237247 "source-unit" "angstrom" } "c" { "source-value" 10.4335348 "source-unit" "angstrom" } }