{ "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" [ [ 0.963247 0 0.5 ] [ 0.636113 0 0 ] [ 0.363887 0.5 0.5 ] [ 0.036753 0.5 0 ] [ 0.000454 0 0.752896 ] [ 0.000454 0 0.247104 ] [ 0.5 0.75 0.75 ] [ 0.5 0.75 0.25 ] [ 0.999546 0.5 0.747104 ] [ 0.999546 0.5 0.252896 ] [ 0.5 0.25 0.25 ] [ 0.5 0.25 0.75 ] [ 0.663641 0 0.326805 ] [ 0.663641 0 0.673195 ] [ 0.334759 0 0.173719 ] [ 0.334759 0 0.826281 ] [ 0.168185 0.749502 0.329168 ] [ 0.168185 0.749502 0.670832 ] [ 0.831815 0.750498 0.170832 ] [ 0.831815 0.750498 0.829168 ] [ 0.665241 0.5 0.326281 ] [ 0.665241 0.5 0.673719 ] [ 0.336359 0.5 0.173195 ] [ 0.336359 0.5 0.826805 ] [ 0.168185 0.250498 0.329168 ] [ 0.168185 0.250498 0.670832 ] [ 0.831815 0.249502 0.170832 ] [ 0.831815 0.249502 0.829168 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "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" 4.93524589 "source-unit" "angstrom" } "b" { "source-value" 5.70645894 "source-unit" "angstrom" } "c" { "source-value" 12.59067309 "source-unit" "angstrom" } }