{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnm" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.154679 0.968215 ] [ 0.75 0.845321 0.468215 ] [ 0.25 0.718016 0.25 ] [ 0.25 0.154679 0.531785 ] [ 0.75 0.845321 0.031785 ] [ 0.75 0.281984 0.75 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.25 0.438017 0.75 ] [ 0.25 0.366312 0.25 ] [ 0.011047 0.041908 0.25 ] [ 0.25 0.764272 0.563557 ] [ 0.75 0.561983 0.25 ] [ 0.75 0.235728 0.436443 ] [ 0.511047 0.958092 0.75 ] [ 0.75 0.633688 0.75 ] [ 0.25 0.764272 0.936443 ] [ 0.75 0.235728 0.063557 ] [ 0.988953 0.958092 0.75 ] [ 0.488953 0.041908 0.25 ] ] } "species" { "source-value" [ "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Mn" "Mn" "Mn" "Mn" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.4171986703 "source-unit" "angstrom" } "b" { "source-value" 7.74600315538 "source-unit" "angstrom" } "c" { "source-value" 8.77839704671 "source-unit" "angstrom" } }