{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.068649 0.361999 0.648283 ] [ 0.931351 0.361999 0.851717 ] [ 0.931351 0.638001 0.351717 ] [ 0.068649 0.638001 0.148283 ] [ 0.821821 0.092401 0.694742 ] [ 0.178179 0.092401 0.805258 ] [ 0.178179 0.907599 0.305258 ] [ 0.821821 0.907599 0.194742 ] [ 0.85591 0.669515 0.95723 ] [ 0.14409 0.669515 0.54277 ] [ 0.14409 0.330485 0.04277 ] [ 0.85591 0.330485 0.45723 ] [ 0.351551 0.768562 0.068685 ] [ 0.648449 0.768562 0.431315 ] [ 0.648449 0.231438 0.931315 ] [ 0.351551 0.231438 0.568685 ] [ 0.238983 0.450098 0.303037 ] [ 0.761017 0.450098 0.196963 ] [ 0.761017 0.549902 0.696963 ] [ 0.238983 0.549902 0.803037 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Te" "Te" "Te" "Te" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.03928112412 "source-unit" "angstrom" } "b" { "source-value" 7.61631354 "source-unit" "angstrom" } "c" { "source-value" 12.8175656824 "source-unit" "angstrom" } "beta" { "source-value" 98.020918725 "source-unit" "degree" } }