{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.472251 0.491455 0.985279 ] [ 0.539642 0.159366 0.347196 ] [ 0.499849 0.833241 0.66867 ] [ 0.011964 0.671887 0.308459 ] [ 0.973236 0.339288 0.681305 ] [ 0.987422 0.004605 0.01235 ] [ 0.813788 0.957831 0.233595 ] [ 0.797476 0.293824 0.912298 ] [ 0.691309 0.119925 0.57549 ] [ 0.314422 0.545665 0.7591 ] [ 0.195395 0.711011 0.091681 ] [ 0.806507 0.634368 0.534389 ] [ 0.709875 0.798487 0.882221 ] [ 0.67939 0.471472 0.217882 ] [ 0.299187 0.864775 0.448007 ] [ 0.312515 0.193732 0.125196 ] [ 0.195172 0.371795 0.424975 ] [ 0.2006 0.037272 0.791905 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "O" "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" 4.7278115 "source-unit" "angstrom" } "b" { "source-value" 5.72318087 "source-unit" "angstrom" } "c" { "source-value" 7.9240648 "source-unit" "angstrom" } "alpha" { "source-value" 85.9126011 "source-unit" "degree" } "beta" { "source-value" 89.39205409 "source-unit" "degree" } "gamma" { "source-value" 88.10527871 "source-unit" "degree" } }