{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.292561 0.5 0.010513 ] [ 0.341984 0.5 0.642019 ] [ 0.367311 0.5 0.348091 ] [ 0.792953 0.5 0.506554 ] [ 0.839869 0.5 0.142281 ] [ 0.865466 0.5 0.850503 ] [ 0.134165 0 0.493632 ] [ 0.191978 0 0.82016 ] [ 0.674337 0 0.685914 ] [ 0.175734 0 0.183698 ] [ 0.636447 0 0.996601 ] [ 0.686921 0 0.320058 ] [ 0.999652 0.5 0.331395 ] [ 0.998042 0 0.000558 ] [ 0.000198 0.5 0.666674 ] [ 0.500315 0.5 0.835388 ] [ 0.50188 0 0.499514 ] [ 0.499965 0.5 0.166469 ] [ 0.008989 0.5 0.569691 ] [ 0.017973 0.5 0.234663 ] [ 0.136856 0.5 0.388287 ] [ 0.141319 0.5 0.719481 ] [ 0.150659 0 0.042422 ] [ 0.347212 0.5 0.876037 ] [ 0.347609 0.5 0.208298 ] [ 0.36466 0 0.55619 ] [ 0.486074 0 0.402382 ] [ 0.51295 0.5 0.069559 ] [ 0.51459 0.5 0.738197 ] [ 0.637727 0.5 0.891593 ] [ 0.638809 0.5 0.221663 ] [ 0.655341 0 0.53954 ] [ 0.845727 0.5 0.371312 ] [ 0.850615 0.5 0.710896 ] [ 0.859548 0 0.056014 ] [ 0.983562 0 0.903752 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Fe" "Fe" "Fe" "B" "B" "B" "B" "B" "B" "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" 8.26431623 "source-unit" "angstrom" } "b" { "source-value" 3.16191536 "source-unit" "angstrom" } "c" { "source-value" 14.31362723 "source-unit" "angstrom" } "beta" { "source-value" 90.01477149 "source-unit" "degree" } }