{ "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 ] [ 0.212767 0.361932 0.007028 ] [ 0.290707 0.348112 0.551947 ] [ 0.440819 0.222908 0.043606 ] [ 0.447752 0.204538 0.447527 ] [ 0.552248 0.795462 0.552473 ] [ 0.559181 0.777092 0.956394 ] [ 0.709293 0.651888 0.448053 ] [ 0.787233 0.638068 0.992972 ] [ 0.109996 0.711305 0.729187 ] [ 0.357226 0.771153 0.228589 ] [ 0.642774 0.228847 0.771411 ] [ 0.890004 0.288695 0.270813 ] [ 0.15182 0.565346 0.143785 ] [ 0.2031 0.985676 0.168433 ] [ 0.202065 0.791735 0.379007 ] [ 0.245654 0.794757 0.887269 ] [ 0.258722 0.903343 0.644953 ] [ 0.266878 0.239017 0.478545 ] [ 0.29157 0.228528 0.9821 ] [ 0.348319 0.51497 0.679815 ] [ 0.651681 0.48503 0.320185 ] [ 0.70843 0.771472 0.0179 ] [ 0.733122 0.760983 0.521455 ] [ 0.741278 0.096657 0.355047 ] [ 0.754346 0.205243 0.112731 ] [ 0.797935 0.208265 0.620993 ] [ 0.7969 0.014324 0.831567 ] [ 0.84818 0.434654 0.856215 ] ] } "species" { "source-value" [ "Zn" "Zn" "H" "H" "H" "H" "H" "H" "H" "H" "I" "I" "I" "I" "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" 4.99005688 "source-unit" "angstrom" } "b" { "source-value" 6.755966 "source-unit" "angstrom" } "c" { "source-value" 10.98951504 "source-unit" "angstrom" } "alpha" { "source-value" 99.1016169 "source-unit" "degree" } "beta" { "source-value" 91.49988846 "source-unit" "degree" } "gamma" { "source-value" 91.29920675 "source-unit" "degree" } }