{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.117853 0.653321 0.785928 ] [ 0.117853 0.846679 0.285928 ] [ 0.219299 0.81492 0.570798 ] [ 0.219299 0.68508 0.070798 ] [ 0.780701 0.31492 0.929202 ] [ 0.780701 0.18508 0.429202 ] [ 0.882147 0.153321 0.714072 ] [ 0.882147 0.346679 0.214072 ] [ 0.515318 0.853754 0.8436 ] [ 0.484682 0.353754 0.6564 ] [ 0.515318 0.646246 0.3436 ] [ 0.484682 0.146246 0.1564 ] [ 0.186563 0.186849 0.935842 ] [ 0.186563 0.313151 0.435842 ] [ 0.813437 0.686849 0.564158 ] [ 0.813437 0.813151 0.064158 ] [ 0.059962 0.298841 0.856697 ] [ 0.059962 0.201159 0.356697 ] [ 0.22374 0.936327 0.927472 ] [ 0.22374 0.563673 0.427472 ] [ 0.276252 0.176224 0.523207 ] [ 0.355261 0.673426 0.710325 ] [ 0.276252 0.323776 0.023207 ] [ 0.355261 0.826574 0.210325 ] [ 0.644739 0.173426 0.789675 ] [ 0.723748 0.676224 0.976793 ] [ 0.644739 0.326574 0.289675 ] [ 0.723748 0.823776 0.476793 ] [ 0.77626 0.436327 0.572528 ] [ 0.77626 0.063673 0.072528 ] [ 0.940038 0.798841 0.643303 ] [ 0.940038 0.701159 0.143303 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "C" "C" "C" "C" "O" "O" "O" "O" "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" 6.85482868 "source-unit" "angstrom" } "b" { "source-value" 5.11995954 "source-unit" "angstrom" } "c" { "source-value" 11.04103513 "source-unit" "angstrom" } "beta" { "source-value" 95.59935297 "source-unit" "degree" } }