{ "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" [ [ 0.980606 0.486334 0.503692 ] [ 0.882138 0.258398 0.89081 ] [ 0.45494 0.195863 0.087782 ] [ 0.058579 0.710357 0.061199 ] [ 0.634738 0.638621 0.675376 ] [ 0.090901 0.199486 0.309951 ] [ 0.091529 0.972945 0.613912 ] [ 0.427817 0.013488 0.497157 ] [ 0.014751 0.008316 0.979251 ] [ 0.520456 0.290084 0.777684 ] [ 0.742866 0.111151 0.370436 ] [ 0.728463 0.604752 0.380885 ] [ 0.208999 0.593349 0.85917 ] [ 0.245215 0.612855 0.384695 ] ] } "species" { "source-value" [ "Nb" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.53103843 "source-unit" "angstrom" } "b" { "source-value" 7.58293349 "source-unit" "angstrom" } "c" { "source-value" 7.61674441 "source-unit" "angstrom" } "alpha" { "source-value" 92.25854911 "source-unit" "degree" } "beta" { "source-value" 117.61461582 "source-unit" "degree" } "gamma" { "source-value" 118.61188921 "source-unit" "degree" } }