{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmce" } "basis-atom-coordinates" { "source-value" [ [ 0 0.662216 0.5 ] [ 0 0.837784 0 ] [ 0 0.337784 0.5 ] [ 0 0.162216 0 ] [ 0.5 0.162216 0.5 ] [ 0.5 0.337784 0 ] [ 0.5 0.837784 0.5 ] [ 0.5 0.662216 0 ] [ 0.101987 0.25 0.75 ] [ 0.47514 0 0.180243 ] [ 0.52486 0 0.819757 ] [ 0.97514 0 0.319757 ] [ 0.898013 0.75 0.25 ] [ 0.101987 0.75 0.75 ] [ 0.898013 0.25 0.25 ] [ 0.02486 0 0.680243 ] [ 0.601987 0.75 0.75 ] [ 0.97514 0.5 0.180243 ] [ 0.02486 0.5 0.819757 ] [ 0.47514 0.5 0.319757 ] [ 0.398013 0.25 0.25 ] [ 0.601987 0.25 0.75 ] [ 0.398013 0.75 0.25 ] [ 0.52486 0.5 0.680243 ] [ 0.610539 0 0.376481 ] [ 0.889461 0 0.876481 ] [ 0.110539 0 0.123519 ] [ 0.389461 0 0.623519 ] [ 0.172197 0.674301 0.10279 ] [ 0.827803 0.825699 0.60279 ] [ 0.172197 0.825699 0.39721 ] [ 0.827803 0.674301 0.89721 ] [ 0.827803 0.325699 0.89721 ] [ 0.172197 0.325699 0.10279 ] [ 0.827803 0.174301 0.60279 ] [ 0.172197 0.174301 0.39721 ] [ 0.110539 0.5 0.376481 ] [ 0.389461 0.5 0.876481 ] [ 0.610539 0.5 0.123519 ] [ 0.889461 0.5 0.623519 ] [ 0.672197 0.174301 0.10279 ] [ 0.327803 0.325699 0.60279 ] [ 0.672197 0.325699 0.39721 ] [ 0.327803 0.174301 0.89721 ] [ 0.327803 0.825699 0.89721 ] [ 0.672197 0.825699 0.10279 ] [ 0.327803 0.674301 0.60279 ] [ 0.672197 0.674301 0.39721 ] ] } "species" { "source-value" [ "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.70420714619 "source-unit" "angstrom" } "b" { "source-value" 11.5813740213 "source-unit" "angstrom" } "c" { "source-value" 12.77342422 "source-unit" "angstrom" } }