{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.139069 0 0.060145 ] [ 0.860931 0 0.939855 ] [ 0.639069 0.5 0.060145 ] [ 0.360931 0.5 0.939855 ] [ 0.142806 0 0.442299 ] [ 0.18642 0 0.74938 ] [ 0.81358 0 0.25062 ] [ 0.857194 0 0.557701 ] [ 0.642806 0.5 0.442299 ] [ 0.68642 0.5 0.74938 ] [ 0.31358 0.5 0.25062 ] [ 0.357194 0.5 0.557701 ] [ 0.049729 0 0.614168 ] [ 0.191798 0.5 0.424582 ] [ 0.808202 0.5 0.575418 ] [ 0.950271 0 0.385832 ] [ 0.549729 0.5 0.614168 ] [ 0.691798 0 0.424582 ] [ 0.308202 0 0.575418 ] [ 0.450271 0.5 0.385832 ] [ 0.048942 0 0.881378 ] [ 0.189441 0.5 0.093845 ] [ 0.239022 0 0.260823 ] [ 0.760978 0 0.739177 ] [ 0.810559 0.5 0.906155 ] [ 0.951058 0 0.118622 ] [ 0.548942 0.5 0.881378 ] [ 0.689441 0 0.093845 ] [ 0.739022 0.5 0.260823 ] [ 0.260978 0.5 0.739177 ] [ 0.310559 0 0.906155 ] [ 0.451058 0.5 0.118622 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.82482341 "source-unit" "angstrom" } "b" { "source-value" 4.04974271 "source-unit" "angstrom" } "c" { "source-value" 9.99362394 "source-unit" "angstrom" } "beta" { "source-value" 90.6766662 "source-unit" "degree" } }