{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.152533 0.25 0.148333 ] [ 0.847467 0.75 0.851667 ] [ 0.827196 0.11961 0.605021 ] [ 0.339631 0.127131 0.853357 ] [ 0.660369 0.627131 0.146643 ] [ 0.172804 0.88039 0.394979 ] [ 0.660369 0.872869 0.146643 ] [ 0.172804 0.61961 0.394979 ] [ 0.339631 0.372869 0.853357 ] [ 0.827196 0.38039 0.605021 ] [ 0.902382 0.918112 0.296209 ] [ 0.254742 0.75 0.374235 ] [ 0.286758 0.25 0.948695 ] [ 0.713242 0.75 0.051305 ] [ 0.745258 0.25 0.625765 ] [ 0.902382 0.581888 0.296209 ] [ 0.097618 0.081888 0.703791 ] [ 0.097618 0.418112 0.703791 ] [ 0.957283 0.75 0.668886 ] [ 0.042717 0.25 0.331114 ] [ 0.631526 0.638122 0.748085 ] [ 0.631526 0.861878 0.748085 ] [ 0.063078 0.860346 0.96219 ] [ 0.936922 0.139654 0.03781 ] [ 0.063078 0.639654 0.96219 ] [ 0.368474 0.138122 0.251915 ] [ 0.368474 0.361878 0.251915 ] [ 0.936922 0.360346 0.03781 ] ] } "species" { "source-value" [ "As" "As" "S" "S" "S" "S" "S" "S" "S" "S" "N" "N" "N" "N" "N" "N" "N" "N" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.7859375489 "source-unit" "angstrom" } "b" { "source-value" 11.40164406 "source-unit" "angstrom" } "c" { "source-value" 7.9327928008 "source-unit" "angstrom" } "beta" { "source-value" 109.301504497 "source-unit" "degree" } }