{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.004853 0.005045 0.001409 ] [ 0.807653 0.400456 0.803037 ] [ 0.594704 0.794193 0.602024 ] [ 0.40044 0.198431 0.897717 ] [ 0.420203 0.211019 0.39728 ] [ 0.200941 0.603598 0.70195 ] [ 0.205619 0.605909 0.200232 ] [ 0.003006 0.001707 0.501629 ] [ 0.797702 0.397257 0.307605 ] [ 0.603443 0.801019 0.103623 ] [ 0.205268 0.769837 0.950636 ] [ 0.80056 0.570431 0.555967 ] [ 0.598637 0.963049 0.353342 ] [ 0.6035 0.634689 0.852787 ] [ 0.000329 0.165153 0.749777 ] [ 0.412377 0.039918 0.647305 ] [ 0.204874 0.436598 0.449471 ] [ 0.002699 0.830834 0.253436 ] [ 0.39351 0.366566 0.152005 ] [ 0.798041 0.234245 0.054002 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Sb" "Sb" "Sb" "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" 7.1670459 "source-unit" "angstrom" } "b" { "source-value" 7.17436801 "source-unit" "angstrom" } "c" { "source-value" 10.1180025 "source-unit" "angstrom" } "alpha" { "source-value" 89.94158357 "source-unit" "degree" } "beta" { "source-value" 103.5624786 "source-unit" "degree" } "gamma" { "source-value" 119.84684589 "source-unit" "degree" } }