{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbcm" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.084767 0.601601 ] [ 0.25 0.084767 0.898399 ] [ 0.25 0.915233 0.398399 ] [ 0.75 0.915233 0.101601 ] [ 0.25 0.439549 0.168314 ] [ 0.75 0.439549 0.331686 ] [ 0.25 0.560451 0.668314 ] [ 0.75 0.560451 0.831686 ] [ 0.25 0.158064 0.161119 ] [ 0.75 0.158064 0.338881 ] [ 0.25 0.394089 0.561665 ] [ 0.75 0.394089 0.938335 ] [ 0.5 0.452692 0.75 ] [ 0 0.452692 0.75 ] [ 0.5 0.547308 0.25 ] [ 0 0.547308 0.25 ] [ 0.25 0.605911 0.061665 ] [ 0.75 0.605911 0.438335 ] [ 0.25 0.841936 0.661119 ] [ 0.75 0.841936 0.838881 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "As" "As" "As" "As" "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" 5.46077034 "source-unit" "angstrom" } "b" { "source-value" 5.93704673 "source-unit" "angstrom" } "c" { "source-value" 12.59463259 "source-unit" "angstrom" } }