{ "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" [ [ 0.517513 0.795706 0.393774 ] [ 0 0.5 0.5 ] [ 0.482487 0.204294 0.606226 ] [ 0.018777 0.881901 0.688255 ] [ 0.981223 0.118099 0.311745 ] [ 0.5 0 0 ] [ 0.965645 0.309421 0.901581 ] [ 0.034355 0.690579 0.098419 ] [ 0.232295 0.957855 0.858286 ] [ 0.788236 0.888881 0.522508 ] [ 0.785578 0.677431 0.939975 ] [ 0.251028 0.802278 0.230987 ] [ 0.195186 0.543799 0.670849 ] [ 0.804814 0.456201 0.329151 ] [ 0.748972 0.197722 0.769013 ] [ 0.214422 0.322569 0.060025 ] [ 0.211764 0.111119 0.477492 ] [ 0.767705 0.042145 0.141714 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "V" "V" "Fe" "Fe" "Fe" "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" 5.14334003 "source-unit" "angstrom" } "b" { "source-value" 5.1818341 "source-unit" "angstrom" } "c" { "source-value" 7.86816055 "source-unit" "angstrom" } "alpha" { "source-value" 73.70501581 "source-unit" "degree" } "beta" { "source-value" 73.29448314 "source-unit" "degree" } "gamma" { "source-value" 77.57215098 "source-unit" "degree" } }