{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.757583 0.801623 0.131194 ] [ 0.242417 0.198377 0.868806 ] [ 0.62377 0.644164 0.732551 ] [ 0.37623 0.355836 0.267449 ] [ 0.01007 0.025015 0.225512 ] [ 0.98993 0.974985 0.774488 ] [ 0.091194 0.522921 0.19023 ] [ 0.908806 0.477079 0.80977 ] [ 0.344101 0.250071 0.534211 ] [ 0.576732 0.52558 0.201713 ] [ 0.655899 0.749929 0.465789 ] [ 0.477664 0.129697 0.129383 ] [ 0.522336 0.870303 0.870617 ] [ 0.423268 0.47442 0.798287 ] ] } "species" { "source-value" [ "Lu" "Lu" "Mo" "Mo" "Cl" "Cl" "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" 5.93998109471 "source-unit" "angstrom" } "b" { "source-value" 6.50067134911 "source-unit" "angstrom" } "c" { "source-value" 6.9400923048 "source-unit" "angstrom" } "alpha" { "source-value" 73.4745642595 "source-unit" "degree" } "beta" { "source-value" 77.852452096 "source-unit" "degree" } "gamma" { "source-value" 71.0981677481 "source-unit" "degree" } }