{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.874757 0.063938 ] [ 0.5 0.874757 0.436062 ] [ 0.5 0.125243 0.563938 ] [ 0.5 0.125243 0.936062 ] [ 0 0.374757 0.063938 ] [ 0 0.374757 0.436062 ] [ 0 0.625243 0.563938 ] [ 0 0.625243 0.936062 ] [ 0 0.120594 0.25 ] [ 0 0.879406 0.75 ] [ 0.5 0.620594 0.25 ] [ 0.5 0.379406 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.963722 0.25 ] [ 0.5 0.778851 0.618324 ] [ 0.5 0.778851 0.881676 ] [ 0.5 0.036278 0.75 ] [ 0.5 0.221149 0.118324 ] [ 0.5 0.221149 0.381676 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0.463722 0.25 ] [ 0 0.278851 0.618324 ] [ 0 0.278851 0.881676 ] [ 0 0.536278 0.75 ] [ 0 0.721149 0.118324 ] [ 0 0.721149 0.381676 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "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" 2.9028584 "source-unit" "angstrom" } "b" { "source-value" 9.65779816 "source-unit" "angstrom" } "c" { "source-value" 9.87208725 "source-unit" "angstrom" } }