{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.312467 0 ] [ 0 0.687533 0 ] [ 0.5 0.812467 0 ] [ 0.5 0.187533 0 ] [ 0.744973 0 0.605824 ] [ 0.255027 0 0.394176 ] [ 0.244973 0.5 0.605824 ] [ 0.755027 0.5 0.394176 ] [ 0.771522 0.172597 0.800794 ] [ 0.771522 0.827403 0.800794 ] [ 0.567784 0 0.268116 ] [ 0 0 0.5 ] [ 0.432216 0 0.731884 ] [ 0.228478 0.172597 0.199206 ] [ 0.228478 0.827403 0.199206 ] [ 0.271522 0.672597 0.800794 ] [ 0.271522 0.327403 0.800794 ] [ 0.067784 0.5 0.268116 ] [ 0.5 0.5 0.5 ] [ 0.932216 0.5 0.731884 ] [ 0.728478 0.672597 0.199206 ] [ 0.728478 0.327403 0.199206 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "Ti" "Ti" "Ti" "Ti" "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" 6.41254858 "source-unit" "angstrom" } "b" { "source-value" 8.98765168 "source-unit" "angstrom" } "c" { "source-value" 5.2209369 "source-unit" "angstrom" } "beta" { "source-value" 100.23047287 "source-unit" "degree" } }