{ "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" [ [ 0.915217 0.523912 0.148674 ] [ 0.416684 0.024056 0.65237 ] [ 0.583316 0.975944 0.34763 ] [ 0.084783 0.476088 0.851326 ] [ 0.903294 0.256585 0.505656 ] [ 0.096706 0.743415 0.494344 ] [ 0.411608 0.75771 0.012072 ] [ 0.588392 0.24229 0.987928 ] [ 0.094519 0.093962 0.166626 ] [ 0.400615 0.409734 0.329957 ] [ 0.599385 0.590266 0.670043 ] [ 0.905481 0.906038 0.833374 ] [ 0.980724 0.252082 0.042225 ] [ 0.956885 0.006563 0.313637 ] [ 0.356629 0.027589 0.149924 ] [ 0.542835 0.500872 0.185566 ] [ 0.508741 0.246509 0.453675 ] [ 0.142263 0.480803 0.345404 ] [ 0.857737 0.519197 0.654596 ] [ 0.491259 0.753491 0.546325 ] [ 0.457165 0.499128 0.814434 ] [ 0.643371 0.972411 0.850076 ] [ 0.043115 0.993437 0.686363 ] [ 0.019276 0.747918 0.957775 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "Fe" "Fe" "B" "B" "B" "B" "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" 5.17115488 "source-unit" "angstrom" } "b" { "source-value" 6.20926759 "source-unit" "angstrom" } "c" { "source-value" 8.05511358 "source-unit" "angstrom" } "alpha" { "source-value" 78.53711952 "source-unit" "degree" } "beta" { "source-value" 88.58951429 "source-unit" "degree" } "gamma" { "source-value" 87.60159004 "source-unit" "degree" } }