{ "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" [ [ 0.516856 0.787287 0.393418 ] [ 0 0.5 0.5 ] [ 0.483144 0.212713 0.606582 ] [ 0.018538 0.88416 0.688195 ] [ 0.981462 0.11584 0.311805 ] [ 0.5 0 0 ] [ 0.969448 0.312436 0.897561 ] [ 0.030552 0.687564 0.102439 ] [ 0.230906 0.958787 0.856614 ] [ 0.782972 0.894455 0.524676 ] [ 0.786855 0.678565 0.938993 ] [ 0.255546 0.798574 0.228629 ] [ 0.194771 0.540358 0.667488 ] [ 0.805229 0.459642 0.332512 ] [ 0.744454 0.201426 0.771371 ] [ 0.213145 0.321435 0.061007 ] [ 0.217028 0.105545 0.475324 ] [ 0.769094 0.041213 0.143386 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Ti" "Ti" "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" 5.14982524 "source-unit" "angstrom" } "b" { "source-value" 5.20863507 "source-unit" "angstrom" } "c" { "source-value" 7.83735544 "source-unit" "angstrom" } "alpha" { "source-value" 73.46745607 "source-unit" "degree" } "beta" { "source-value" 73.5188535 "source-unit" "degree" } "gamma" { "source-value" 78.14490034 "source-unit" "degree" } }