{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.700617 0.922882 0.234288 ] [ 0.299383 0.077118 0.765712 ] [ 0.5 0.5 1 ] [ 0.23074 0.977575 0.237608 ] [ 0.76926 0.022425 0.762392 ] [ 0.314109 0.759336 0.461639 ] [ 0.784962 0.758888 0.933437 ] [ 0.689704 0.705609 0.423194 ] [ 0.140612 0.667254 0.889129 ] [ 0 0.5 0.5 ] [ 0.310296 0.294391 0.576806 ] [ 0.859388 0.332746 0.110871 ] [ 0.685891 0.240664 0.538361 ] [ 0.215038 0.241112 0.066563 ] [ 0.422711 0.914814 0.634314 ] [ 0.914291 0.892018 0.120295 ] [ 0.262915 0.848792 0.01957 ] [ 0.815796 0.884109 0.556844 ] [ 0.749555 0.828304 0.80457 ] [ 0.241886 0.796684 0.308962 ] [ 0.635921 0.698303 0.246272 ] [ 0.109201 0.654812 0.706839 ] [ 0.581661 0.65973 0.917531 ] [ 0.121415 0.635761 0.445474 ] [ 0.473338 0.651342 0.440481 ] [ 0.910595 0.627002 0.884428 ] [ 0.224602 0.537133 0.929039 ] [ 0.783568 0.56842 0.453568 ] [ 0.775398 0.462867 0.070961 ] [ 0.216432 0.43158 0.546432 ] [ 0.526662 0.348658 0.559519 ] [ 0.089405 0.372998 0.115572 ] [ 0.418339 0.34027 0.082469 ] [ 0.878585 0.364239 0.554526 ] [ 0.364079 0.301697 0.753728 ] [ 0.890799 0.345188 0.293161 ] [ 0.250445 0.171696 0.19543 ] [ 0.758114 0.203316 0.691038 ] [ 0.737085 0.151208 0.98043 ] [ 0.184204 0.115891 0.443156 ] [ 0.577289 0.085186 0.365686 ] [ 0.085709 0.107982 0.879705 ] ] } "species" { "source-value" [ "Li" "Li" "Fe" "Fe" "Fe" "P" "P" "P" "P" "P" "P" "P" "P" "P" "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" 7.10128157 "source-unit" "angstrom" } "b" { "source-value" 9.03706821 "source-unit" "angstrom" } "c" { "source-value" 9.25100607 "source-unit" "angstrom" } "alpha" { "source-value" 111.43961894 "source-unit" "degree" } "beta" { "source-value" 109.30381697 "source-unit" "degree" } "gamma" { "source-value" 98.43862527 "source-unit" "degree" } }