{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.262096 0.290262 ] [ 0.75 0.762096 0.209738 ] [ 0.25 0.737904 0.709738 ] [ 0.25 0.237904 0.790262 ] [ 0.75 0.927218 0.623486 ] [ 0.75 0.427218 0.876514 ] [ 0.25 0.572782 0.123486 ] [ 0.25 0.072782 0.376514 ] [ 0.75 0.574382 0.547014 ] [ 0.75 0.074382 0.952986 ] [ 0.25 0.925618 0.047014 ] [ 0.25 0.425618 0.452986 ] [ 0.75 0.22698 0.045264 ] [ 0.75 0.72698 0.454736 ] [ 0.75 0.411291 0.495215 ] [ 0.75 0.911291 0.004785 ] [ 0.75 0.121241 0.793021 ] [ 0.75 0.621241 0.706979 ] [ 0.25 0.088709 0.995215 ] [ 0.25 0.878759 0.206979 ] [ 0.25 0.378759 0.293021 ] [ 0.25 0.588709 0.504785 ] [ 0.25 0.27302 0.545264 ] [ 0.25 0.77302 0.954736 ] [ 0.956685 0.575817 0.141317 ] [ 0.956685 0.075817 0.358683 ] [ 0.543315 0.575817 0.141317 ] [ 0.543315 0.075817 0.358683 ] [ 0.456685 0.424183 0.858683 ] [ 0.456685 0.924183 0.641317 ] [ 0.043315 0.924183 0.641317 ] [ 0.043315 0.424183 0.858683 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "C" "C" "C" "C" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 6.39932296 "source-unit" "angstrom" } "b" { "source-value" 7.1282097 "source-unit" "angstrom" } "c" { "source-value" 8.10446727 "source-unit" "angstrom" } }