{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.223544 0.75 0.345937 ] [ 0.276456 0.25 0.845937 ] [ 0.723544 0.75 0.154063 ] [ 0.776456 0.25 0.654063 ] [ 0.229187 0.992519 0.1011 ] [ 0.229187 0.507481 0.1011 ] [ 0.270813 0.007481 0.6011 ] [ 0.270813 0.492519 0.6011 ] [ 0.729187 0.992519 0.3989 ] [ 0.729187 0.507481 0.3989 ] [ 0.770813 0.007481 0.8989 ] [ 0.770813 0.492519 0.8989 ] [ 0.189833 0.25 0.357653 ] [ 0.310167 0.75 0.857653 ] [ 0.689833 0.25 0.142347 ] [ 0.810167 0.75 0.642347 ] [ 0.036362 0.25 0.967554 ] [ 0.126102 0.079227 0.413067 ] [ 0.126102 0.420773 0.413067 ] [ 0.184725 0.75 0.755474 ] [ 0.110064 0.25 0.692586 ] [ 0.389936 0.75 0.192586 ] [ 0.315275 0.25 0.255474 ] [ 0.373898 0.579227 0.913067 ] [ 0.373898 0.920773 0.913067 ] [ 0.463638 0.75 0.467554 ] [ 0.536362 0.25 0.532446 ] [ 0.626102 0.079227 0.086933 ] [ 0.626102 0.420773 0.086933 ] [ 0.684725 0.75 0.744526 ] [ 0.610064 0.25 0.807414 ] [ 0.889936 0.75 0.307414 ] [ 0.815275 0.25 0.244526 ] [ 0.873898 0.920773 0.586933 ] [ 0.873898 0.579227 0.586933 ] [ 0.963638 0.75 0.032446 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "B" "B" "B" "B" "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" 5.77945622 "source-unit" "angstrom" } "b" { "source-value" 7.11817516 "source-unit" "angstrom" } "c" { "source-value" 11.30195245 "source-unit" "angstrom" } }