{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0 0 0 ] [ 0.3318 0.646323 0.227299 ] [ 0.6682 0.353677 0.772701 ] [ 0.63981 0.966399 0.336953 ] [ 0.36019 0.033601 0.663047 ] [ 0.157047 0.954528 0.721123 ] [ 0.295155 0.805473 0.37479 ] [ 0.696692 0.65255 0.66038 ] [ 0.627061 0.75858 0.064071 ] [ 0.115328 0.668307 0.134721 ] [ 0.884672 0.331693 0.865279 ] [ 0.372939 0.24142 0.935929 ] [ 0.303308 0.34745 0.33962 ] [ 0.704845 0.194527 0.62521 ] [ 0.842953 0.045472 0.278877 ] ] } "species" { "source-value" [ "Sn" "Sn" "P" "P" "H" "H" "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" 5.30509434 "source-unit" "angstrom" } "b" { "source-value" 5.35843579 "source-unit" "angstrom" } "c" { "source-value" 7.55384517 "source-unit" "angstrom" } "alpha" { "source-value" 109.52439897 "source-unit" "degree" } "beta" { "source-value" 105.6603401 "source-unit" "degree" } "gamma" { "source-value" 96.94018384 "source-unit" "degree" } }