{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0 ] [ 0.535538 0.25 0.217951 ] [ 0.035538 0.75 0.282049 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.964462 0.25 0.717951 ] [ 0.464462 0.75 0.782049 ] [ 0.530636 0.75 0.157565 ] [ 0.030636 0.25 0.342435 ] [ 0.969364 0.75 0.657565 ] [ 0.469364 0.25 0.842435 ] [ 0.317133 0.25 0.048138 ] [ 0.17572 0.75 0.072699 ] [ 0.808632 0.00792 0.195531 ] [ 0.808632 0.49208 0.195531 ] [ 0.308632 0.50792 0.304469 ] [ 0.308632 0.99208 0.304469 ] [ 0.67572 0.25 0.427301 ] [ 0.817133 0.75 0.451862 ] [ 0.182867 0.25 0.548138 ] [ 0.32428 0.75 0.572699 ] [ 0.691368 0.00792 0.695531 ] [ 0.691368 0.49208 0.695531 ] [ 0.191368 0.50792 0.804469 ] [ 0.191368 0.99208 0.804469 ] [ 0.82428 0.25 0.927301 ] [ 0.682867 0.75 0.951862 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "F" "F" "F" "F" "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" 5.28365244 "source-unit" "angstrom" } "b" { "source-value" 5.97137054 "source-unit" "angstrom" } "c" { "source-value" 9.46915626 "source-unit" "angstrom" } }