{ "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 0.508046 0.305976 ] [ 0.75 0.491954 0.694024 ] [ 0.25 0.008046 0.194024 ] [ 0.75 0.991954 0.805976 ] [ 0.75 0.172752 0.40956 ] [ 0.25 0.827248 0.59044 ] [ 0.75 0.672752 0.09044 ] [ 0.25 0.327248 0.90956 ] [ 0.75 0.317779 0.08395 ] [ 0.25 0.682221 0.91605 ] [ 0.75 0.817779 0.41605 ] [ 0.25 0.182221 0.58395 ] [ 0.75 0.49018 0.103475 ] [ 0.25 0.50982 0.896525 ] [ 0.75 0.99018 0.396525 ] [ 0.25 0.00982 0.603475 ] [ 0.992265 0.764943 0.503339 ] [ 0.492265 0.235057 0.496661 ] [ 0.507735 0.264943 0.996661 ] [ 0.007735 0.735057 0.003339 ] [ 0.007735 0.235057 0.496661 ] [ 0.507735 0.764943 0.503339 ] [ 0.492265 0.735057 0.003339 ] [ 0.992265 0.264943 0.996661 ] [ 0.25 0.258823 0.738439 ] [ 0.75 0.741177 0.261561 ] [ 0.25 0.758823 0.761561 ] [ 0.75 0.241177 0.238439 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Be" "Be" "Be" "Be" "P" "P" "P" "P" "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" 5.19321945 "source-unit" "angstrom" } "b" { "source-value" 8.85049122 "source-unit" "angstrom" } "c" { "source-value" 8.9476351 "source-unit" "angstrom" } }