{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.633911 0.995564 0.345643 ] [ 0.133911 0.004436 0.845643 ] [ 0.50006 0.597678 0.498306 ] [ 0.00006 0.402322 0.998306 ] [ 0.719501 0.384368 0.611312 ] [ 0.195412 0.393332 0.467093 ] [ 0.894176 0.169497 0.109675 ] [ 0.394176 0.830503 0.609675 ] [ 0.819747 0.119811 0.845218 ] [ 0.695412 0.606668 0.967093 ] [ 0.331657 0.126017 0.978878 ] [ 0.831657 0.873983 0.478878 ] [ 0.151944 0.66477 0.838152 ] [ 0.651944 0.33523 0.338152 ] [ 0.231173 0.143049 0.721202 ] [ 0.731173 0.856951 0.221202 ] [ 0.219501 0.615632 0.111312 ] [ 0.319747 0.880189 0.345218 ] ] } "species" { "source-value" [ "Al" "Al" "Te" "Te" "I" "I" "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" 7.75885987199 "source-unit" "angstrom" } "b" { "source-value" 7.4803043 "source-unit" "angstrom" } "c" { "source-value" 16.6869249158 "source-unit" "angstrom" } "beta" { "source-value" 102.117837242 "source-unit" "degree" } }