{ "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" [ [ 0.503444 0.787311 0.408485 ] [ 0.500977 0.600433 0.79119 ] [ 0 0.5 0.5 ] [ 0.499023 0.399567 0.20881 ] [ 0.496556 0.212689 0.591515 ] [ 0.006026 0.898995 0.692464 ] [ 0.993974 0.101005 0.307536 ] [ 0.5 0 0 ] [ 0.998976 0.302061 0.898844 ] [ 0.001024 0.697939 0.101156 ] [ 0.233172 0.939023 0.86492 ] [ 0.766387 0.660862 0.955507 ] [ 0.757631 0.867469 0.551014 ] [ 0.228672 0.764651 0.237165 ] [ 0.224564 0.544501 0.6696 ] [ 0.775436 0.455499 0.3304 ] [ 0.771328 0.235349 0.762835 ] [ 0.242369 0.132531 0.448986 ] [ 0.233613 0.339138 0.044493 ] [ 0.766828 0.060977 0.13508 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Ni" "Ni" "Ni" "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" 5.08320061 "source-unit" "angstrom" } "b" { "source-value" 5.09981246 "source-unit" "angstrom" } "c" { "source-value" 7.71509212 "source-unit" "angstrom" } "alpha" { "source-value" 70.9713621 "source-unit" "degree" } "beta" { "source-value" 71.49269351 "source-unit" "degree" } "gamma" { "source-value" 81.26228633 "source-unit" "degree" } }