{ "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" [ [ 0.75 0.081606 0.672203 ] [ 0.25 0.918394 0.327797 ] [ 0.75 0.581606 0.827797 ] [ 0.25 0.418394 0.172203 ] [ 0.25 0.161221 0.939206 ] [ 0.75 0.838779 0.060794 ] [ 0.25 0.661221 0.560794 ] [ 0.75 0.338779 0.439206 ] [ 0.75 0.336222 0.000604 ] [ 0.25 0.663778 0.999396 ] [ 0.75 0.836222 0.499396 ] [ 0.25 0.163778 0.500604 ] [ 0.25 0.02869 0.111645 ] [ 0.75 0.97131 0.888355 ] [ 0.25 0.52869 0.388355 ] [ 0.75 0.47131 0.611645 ] [ 0.25 0.297225 0.788475 ] [ 0.75 0.702775 0.211525 ] [ 0.25 0.797225 0.711525 ] [ 0.75 0.202775 0.288475 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Pb" "Pb" "Pb" "Pb" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.87871375 "source-unit" "angstrom" } "b" { "source-value" 10.81190876 "source-unit" "angstrom" } "c" { "source-value" 18.21317417 "source-unit" "angstrom" } }