{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0.080311 0.913416 0.750613 ] [ 0 0.748861 0.5 ] [ 0.084015 0.750968 0.24882 ] [ 0.166004 0.748669 0.998772 ] [ 0.082533 0.590562 0.749236 ] [ 0.749314 0.244177 0.750298 ] [ 0.247761 0.58486 0.250502 ] [ 0.084718 0.41 0.25378 ] [ 0 0.248977 0 ] [ 0.247357 0.407263 0.749859 ] [ 0.081373 0.25088 0.751168 ] [ 0.164835 0.24744 0.498656 ] [ 0.079821 0.086284 0.248159 ] [ 0.250686 0.244177 0.249702 ] [ 0.919689 0.913416 0.249387 ] [ 0.833996 0.748669 0.001228 ] [ 0.252239 0.08486 0.749498 ] [ 0.915985 0.750968 0.75118 ] [ 0.917467 0.590562 0.250764 ] [ 0.752643 0.407263 0.250141 ] [ 0.915282 0.41 0.74622 ] [ 0.835165 0.24744 0.501344 ] [ 0.918627 0.25088 0.248832 ] [ 0.920179 0.086284 0.751841 ] [ 0.580311 0.413416 0.750613 ] [ 0.5 0.248861 0.5 ] [ 0.584015 0.250968 0.24882 ] [ 0.666004 0.248669 0.998772 ] [ 0.582533 0.090562 0.749236 ] [ 0.249314 0.744177 0.750298 ] [ 0.747761 0.08486 0.250502 ] [ 0.584718 0.91 0.25378 ] [ 0.5 0.748977 0 ] [ 0.747357 0.907263 0.749859 ] [ 0.581373 0.75088 0.751168 ] [ 0.664835 0.74744 0.498656 ] [ 0.579821 0.586284 0.248159 ] [ 0.750686 0.744177 0.249702 ] [ 0.419689 0.413416 0.249387 ] [ 0.333996 0.248669 0.001228 ] [ 0.752239 0.58486 0.749498 ] [ 0.415985 0.250968 0.75118 ] [ 0.417467 0.090562 0.250764 ] [ 0.252643 0.907263 0.250141 ] [ 0.415282 0.91 0.74622 ] [ 0.335165 0.74744 0.501344 ] [ 0.418627 0.75088 0.248832 ] [ 0.420179 0.586284 0.751841 ] [ 0 0.916149 0 ] [ 0 0.415649 0.5 ] [ 0.165613 0.581356 0.50045 ] [ 0.167032 0.41462 0.002185 ] [ 0.832847 0.080754 0.000935 ] [ 0 0.081278 0.5 ] [ 0.832221 0.914564 0.501243 ] [ 0.167153 0.080754 0.999065 ] [ 0.167779 0.914564 0.498757 ] [ 0.834387 0.581356 0.49955 ] [ 0.832968 0.41462 0.997815 ] [ 0.5 0.416149 0 ] [ 0.5 0.915649 0.5 ] [ 0.665613 0.081356 0.50045 ] [ 0.667032 0.91462 0.002185 ] [ 0.332847 0.580754 0.000935 ] [ 0.5 0.581278 0.5 ] [ 0.332221 0.414564 0.501243 ] [ 0.667153 0.580754 0.999065 ] [ 0.667779 0.414564 0.498757 ] [ 0.334387 0.081356 0.49955 ] [ 0.332968 0.91462 0.997815 ] [ 0 0.578587 0 ] [ 0.5 0.078587 0 ] [ 0.046211 0.927606 0.387802 ] [ 0.03393 0.750065 0.886087 ] [ 0.130804 0.74859 0.613878 ] [ 0.201023 0.748848 0.386432 ] [ 0.046072 0.570118 0.388481 ] [ 0.120277 0.567964 0.11434 ] [ 0.118244 0.427151 0.613077 ] [ 0.047683 0.428828 0.888591 ] [ 0.784828 0.069019 0.612767 ] [ 0.213409 0.569541 0.889101 ] [ 0.033337 0.248804 0.386385 ] [ 0.212581 0.425734 0.38905 ] [ 0.879228 0.068832 0.388616 ] [ 0.786179 0.925332 0.113308 ] [ 0.130721 0.247607 0.115287 ] [ 0.953789 0.927606 0.612198 ] [ 0.201296 0.248269 0.887196 ] [ 0.880364 0.927173 0.88855 ] [ 0.120772 0.068832 0.611384 ] [ 0.798977 0.748848 0.613568 ] [ 0.046399 0.072412 0.889153 ] [ 0.869196 0.74859 0.386122 ] [ 0.215172 0.069019 0.387233 ] [ 0.119636 0.927173 0.11145 ] [ 0.786591 0.569541 0.110899 ] [ 0.96607 0.750065 0.113913 ] [ 0.787419 0.425734 0.61095 ] [ 0.213821 0.925332 0.886692 ] [ 0.953928 0.570118 0.611519 ] [ 0.879723 0.567964 0.88566 ] [ 0.881756 0.427151 0.386923 ] [ 0.952317 0.428828 0.111409 ] [ 0.798704 0.248269 0.112804 ] [ 0.869279 0.247607 0.884713 ] [ 0.966663 0.248804 0.613615 ] [ 0.953601 0.072412 0.110847 ] [ 0.546211 0.427606 0.387802 ] [ 0.53393 0.250065 0.886087 ] [ 0.630804 0.24859 0.613878 ] [ 0.701023 0.248848 0.386432 ] [ 0.546072 0.070118 0.388481 ] [ 0.620277 0.067964 0.11434 ] [ 0.618244 0.927151 0.613077 ] [ 0.547683 0.928828 0.888591 ] [ 0.284828 0.569019 0.612767 ] [ 0.713409 0.069541 0.889101 ] [ 0.533337 0.748804 0.386385 ] [ 0.712581 0.925734 0.38905 ] [ 0.379228 0.568832 0.388616 ] [ 0.286179 0.425332 0.113308 ] [ 0.630721 0.747607 0.115287 ] [ 0.453789 0.427606 0.612198 ] [ 0.701296 0.748269 0.887196 ] [ 0.380364 0.427173 0.88855 ] [ 0.620772 0.568832 0.611384 ] [ 0.298977 0.248848 0.613568 ] [ 0.546399 0.572412 0.889153 ] [ 0.369196 0.24859 0.386122 ] [ 0.715172 0.569019 0.387233 ] [ 0.619636 0.427173 0.11145 ] [ 0.286591 0.069541 0.110899 ] [ 0.46607 0.250065 0.113913 ] [ 0.287419 0.925734 0.61095 ] [ 0.713821 0.425332 0.886692 ] [ 0.453928 0.070118 0.611519 ] [ 0.379723 0.067964 0.88566 ] [ 0.381756 0.927151 0.386923 ] [ 0.452317 0.928828 0.111409 ] [ 0.298704 0.748269 0.112804 ] [ 0.369279 0.747607 0.884713 ] [ 0.466663 0.748804 0.613615 ] [ 0.453601 0.572412 0.110847 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Cr" "Cr" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 15.0123652 "source-unit" "angstrom" } "b" { "source-value" 8.64625725 "source-unit" "angstrom" } "c" { "source-value" 9.72499431 "source-unit" "angstrom" } "beta" { "source-value" 99.59539723 "source-unit" "degree" } }