{ "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" [ [ 0.849198 0.828053 0.664905 ] [ 0.81705 0.836178 0.168485 ] [ 0.681442 0.668553 0.415743 ] [ 0.662058 0.673965 0.914859 ] [ 0.346143 0.32747 0.666575 ] [ 0.317709 0.336782 0.167485 ] [ 0.184414 0.17037 0.414394 ] [ 0.161906 0.174881 0.915173 ] [ 0.667154 0.003002 0.884228 ] [ 0.819789 0.501048 0.133652 ] [ 0.841987 0.16129 0.632823 ] [ 0.674049 0.331199 0.383852 ] [ 0.333802 0.659523 0.63424 ] [ 0.31554 0.999652 0.131431 ] [ 0.182655 0.832766 0.382881 ] [ 0.165665 0.5003 0.885584 ] [ 0.828426 0.168047 0.128474 ] [ 0.833637 0.500242 0.625595 ] [ 0.668574 0.001365 0.375222 ] [ 0.67174 0.336931 0.875115 ] [ 0.32976 0.666851 0.126032 ] [ 0.337725 0.000193 0.625087 ] [ 0.165573 0.502111 0.375453 ] [ 0.168948 0.832108 0.876537 ] [ 0.903469 0.5142 0.345926 ] [ 0.906002 0.821159 0.861893 ] [ 0.821331 0.213086 0.84497 ] [ 0.808122 0.127381 0.415193 ] [ 0.787775 0.866882 0.362191 ] [ 0.787986 0.468604 0.91678 ] [ 0.72023 0.637692 0.613076 ] [ 0.707675 0.033172 0.099399 ] [ 0.691901 0.372121 0.596683 ] [ 0.686845 0.291561 0.165391 ] [ 0.593795 0.678476 0.114228 ] [ 0.594067 0.991406 0.664476 ] [ 0.404705 0.014414 0.347177 ] [ 0.407523 0.32781 0.862262 ] [ 0.322643 0.710053 0.846084 ] [ 0.304577 0.626756 0.41677 ] [ 0.28807 0.36761 0.361559 ] [ 0.279939 0.965716 0.919001 ] [ 0.210219 0.53177 0.095993 ] [ 0.221508 0.137653 0.613068 ] [ 0.197443 0.872651 0.596322 ] [ 0.186854 0.789193 0.165267 ] [ 0.092529 0.178923 0.115349 ] [ 0.090451 0.489431 0.664715 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "B" "B" "B" "B" "B" "B" "B" "B" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.22172182 "source-unit" "angstrom" } "b" { "source-value" 9.06358853 "source-unit" "angstrom" } "c" { "source-value" 10.40015203 "source-unit" "angstrom" } "alpha" { "source-value" 91.63205662 "source-unit" "degree" } "beta" { "source-value" 91.05173352 "source-unit" "degree" } "gamma" { "source-value" 89.99231553 "source-unit" "degree" } }