{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.11784 0.5 0.349002 ] [ 0.996279 0 0.993476 ] [ 0.130057 0.5 0.889521 ] [ 0.61784 0 0.349002 ] [ 0.496279 0.5 0.993476 ] [ 0.630057 0 0.889521 ] [ 0.75047 0.5 0.786885 ] [ 0.369737 0.217927 0.359548 ] [ 0.369737 0.782073 0.359548 ] [ 0.25047 0 0.786885 ] [ 0.869737 0.717927 0.359548 ] [ 0.869737 0.282073 0.359548 ] [ 0.895073 0.5 0.15333 ] [ 0.395073 0 0.15333 ] [ 0.611004 0.231783 0.613707 ] [ 0.611004 0.768217 0.613707 ] [ 0.863185 0 0.120375 ] [ 0.137486 0.742488 0.134532 ] [ 0.869818 0 0.585162 ] [ 0.137486 0.257512 0.134532 ] [ 0.890823 0.5 0.656676 ] [ 0.111004 0.731783 0.613707 ] [ 0.111004 0.268217 0.613707 ] [ 0.363185 0.5 0.120375 ] [ 0.637486 0.242488 0.134532 ] [ 0.369818 0.5 0.585162 ] [ 0.637486 0.757512 0.134532 ] [ 0.390823 0 0.656676 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "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" 10.7500885 "source-unit" "angstrom" } "b" { "source-value" 5.89991298 "source-unit" "angstrom" } "c" { "source-value" 6.25406971 "source-unit" "angstrom" } "beta" { "source-value" 124.38943408 "source-unit" "degree" } }