{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.49249 0.793831 ] [ 0.75 0.50751 0.206169 ] [ 0.25 0.99249 0.706169 ] [ 0.75 0.00751 0.293831 ] [ 0.75 0.306735 0.582846 ] [ 0.25 0.193265 0.082846 ] [ 0.75 0.806735 0.917154 ] [ 0.25 0.693265 0.417154 ] [ 0.25 0.303314 0.41182 ] [ 0.75 0.196686 0.91182 ] [ 0.25 0.803314 0.08818 ] [ 0.75 0.696686 0.58818 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Er" "Ni" "Ni" "Ni" "Ni" "Ge" "Ge" "Ge" "Ge" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.210968 "source-unit" "angstrom" } "b" { "source-value" 6.83712846 "source-unit" "angstrom" } "c" { "source-value" 7.26337622 "source-unit" "angstrom" } }