{ "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" [ [ 0.795886 0.18529 0.437925 ] [ 0.001351 0.996094 0.001107 ] [ 0.494446 0.515984 0.499326 ] [ 0.740569 0.875102 0.734384 ] [ 0.762358 0.623374 0.235797 ] [ 0.230309 0.366178 0.758201 ] [ 0.271659 0.129865 0.268758 ] [ 0.626164 0.916919 0.871458 ] [ 0.612406 0.82457 0.585059 ] [ 0.507242 0.611824 0.256001 ] [ 0.997092 0.893558 0.751112 ] [ 0.89521 0.691956 0.097563 ] [ 0.864658 0.56017 0.370018 ] [ 0.107376 0.391922 0.615449 ] [ 0.106906 0.300252 0.89951 ] [ 0.011672 0.110354 0.258067 ] [ 0.497597 0.419862 0.742908 ] [ 0.417107 0.197846 0.409108 ] [ 0.372181 0.077363 0.130345 ] ] } "species" { "source-value" [ "Li" "Fe" "Fe" "C" "C" "C" "C" "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" 5.21298093 "source-unit" "angstrom" } "b" { "source-value" 6.63650328 "source-unit" "angstrom" } "c" { "source-value" 7.69644509 "source-unit" "angstrom" } "alpha" { "source-value" 90.84036003 "source-unit" "degree" } "beta" { "source-value" 90.37423888 "source-unit" "degree" } "gamma" { "source-value" 111.77422416 "source-unit" "degree" } }