{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.007437 0 0.003331 ] [ 0.489377 0.5 0.996612 ] [ 0.834349 0.5 0.668729 ] [ 0.667317 0 0.333089 ] [ 0.329669 0 0.657953 ] [ 0.16878 0.5 0.337493 ] [ 0.302125 0 0.99854 ] [ 0.268696 0.5 0.536172 ] [ 0.933395 0.5 0.870289 ] [ 0.36551 0 0.333312 ] [ 0.697566 0 0.998877 ] [ 0.029824 0 0.667496 ] [ 0.396136 0.5 0.793671 ] [ 0.733001 0.5 0.46575 ] [ 0.60211 0.5 0.20175 ] [ 0.969656 0 0.335131 ] [ 0.637637 0 0.666076 ] [ 0.067415 0.5 0.135727 ] ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.63818945 "source-unit" "angstrom" } "b" { "source-value" 3.08301527 "source-unit" "angstrom" } "c" { "source-value" 10.52969062 "source-unit" "angstrom" } "beta" { "source-value" 108.28104487 "source-unit" "degree" } }