{ "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" [ [ 0.821524 0 0.508479 ] [ 0.846334 0 0.824748 ] [ 0.990207 0.5 0.845817 ] [ 0.009793 0.5 0.154183 ] [ 0.653666 0.5 0.175252 ] [ 0.678476 0.5 0.491521 ] [ 0.321524 0.5 0.508479 ] [ 0.346334 0.5 0.824748 ] [ 0.490207 0 0.845817 ] [ 0.509793 0 0.154183 ] [ 0.153666 0 0.175252 ] [ 0.178476 0 0.491521 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.832049 0 0.165579 ] [ 0.667951 0.5 0.834421 ] [ 0.332049 0.5 0.165579 ] [ 0.167951 0 0.834421 ] [ 0.806089 0.5 0.35802 ] [ 0.976829 0 0.696864 ] [ 0.642425 0 0.026311 ] [ 0.023171 0 0.303136 ] [ 0.693911 0 0.64198 ] [ 0.857575 0.5 0.973689 ] [ 0.306089 0 0.35802 ] [ 0.476829 0.5 0.696864 ] [ 0.142425 0.5 0.026311 ] [ 0.523171 0.5 0.303136 ] [ 0.193911 0.5 0.64198 ] [ 0.357575 0 0.973689 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Fe" "Fe" "Fe" "Fe" "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" 11.86492466 "source-unit" "angstrom" } "b" { "source-value" 3.2314441 "source-unit" "angstrom" } "c" { "source-value" 7.63664275 "source-unit" "angstrom" } "beta" { "source-value" 106.57151786 "source-unit" "degree" } }