{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcm" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0 0.113982 ] [ 0.75 0 0.886018 ] [ 0.75 0.5 0.613982 ] [ 0.25 0.5 0.386018 ] [ 0.25 0.75 0.75 ] [ 0.25 0.25 0.75 ] [ 0.75 0.25 0.25 ] [ 0.75 0.75 0.25 ] [ 0 0.5 0 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0 0 0.5 ] [ 0.526657 0 0.248415 ] [ 0.25 0.729024 0.980027 ] [ 0.25 0.270976 0.980027 ] [ 0.973343 0 0.248415 ] [ 0.026657 0 0.751585 ] [ 0.75 0.270976 0.019973 ] [ 0.75 0.729024 0.019973 ] [ 0.473343 0 0.751585 ] [ 0.026657 0.5 0.748415 ] [ 0.75 0.229024 0.480027 ] [ 0.75 0.770976 0.480027 ] [ 0.473343 0.5 0.748415 ] [ 0.526657 0.5 0.251585 ] [ 0.25 0.770976 0.519973 ] [ 0.25 0.229024 0.519973 ] [ 0.973343 0.5 0.251585 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Nb" "Nb" "Nb" "Nb" "Ni" "Ni" "Ni" "Ni" "O" "O" "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" 6.02914855 "source-unit" "angstrom" } "b" { "source-value" 6.19526089 "source-unit" "angstrom" } "c" { "source-value" 8.5437926 "source-unit" "angstrom" } }