{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.775012 0.615986 ] [ 0.75 0.224988 0.384014 ] [ 0.75 0.275012 0.884014 ] [ 0.25 0.724988 0.115986 ] [ 0.25 0.224162 0.250094 ] [ 0.75 0.724162 0.249906 ] [ 0.75 0.775838 0.749906 ] [ 0.25 0.275838 0.750094 ] [ 0.25 0.775853 0.838485 ] [ 0.75 0.224147 0.161515 ] [ 0.75 0.275853 0.661515 ] [ 0.25 0.724147 0.338485 ] [ 0.25 0.300199 0.501851 ] [ 0.25 0.199801 0.001851 ] [ 0.75 0.800199 0.998149 ] [ 0.75 0.699801 0.498149 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Ag" "Ag" "Ag" "Ag" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.07964558 "source-unit" "angstrom" } "b" { "source-value" 4.12833434 "source-unit" "angstrom" } "c" { "source-value" 21.40033871 "source-unit" "angstrom" } }