{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnn" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.329079 0.865315 ] [ 0.5 0.670921 0.134685 ] [ 0 0.170921 0.365315 ] [ 0 0.829079 0.634685 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] ] } "species" { "source-value" [ "As" "As" "As" "As" "Ru" "Ru" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.0152137 "source-unit" "angstrom" } "b" { "source-value" 5.492133 "source-unit" "angstrom" } "c" { "source-value" 6.24986421 "source-unit" "angstrom" } }