{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.943415 0 0.650374 ] [ 0.926503 0 0.170752 ] [ 0.196668 0.5 0.273598 ] [ 0.180592 0 0.532944 ] [ 0.443415 0.5 0.650374 ] [ 0.426503 0.5 0.170752 ] [ 0.696668 0 0.273598 ] [ 0.680592 0.5 0.532944 ] [ 0.989944 0.5 0.753383 ] [ 0.997878 0 0.482565 ] [ 0.765426 0.5 0.375662 ] [ 0.002653 0.5 0.267169 ] [ 0.24857 0.5 0.109524 ] [ 0.24835 0.5 0.634029 ] [ 0.489944 0 0.753383 ] [ 0.497878 0.5 0.482565 ] [ 0.265426 0 0.375662 ] [ 0.502653 0 0.267169 ] [ 0.74857 0 0.109524 ] [ 0.74835 0 0.634029 ] ] } "species" { "source-value" [ "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 14.2535764991 "source-unit" "angstrom" } "b" { "source-value" 4.18114717 "source-unit" "angstrom" } "c" { "source-value" 14.6757424637 "source-unit" "angstrom" } "beta" { "source-value" 97.6281873245 "source-unit" "degree" } }