{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.883482 0.5 0.633362 ] [ 0.23977 0.5 0.245069 ] [ 0.006451 0 0.988678 ] [ 0.383482 0 0.633362 ] [ 0.73977 0 0.245069 ] [ 0.506451 0.5 0.988678 ] [ 0.874515 0.5 0.126727 ] [ 0.125028 0.253402 0.631561 ] [ 0.125028 0.746598 0.631561 ] [ 0.374515 0 0.126727 ] [ 0.625028 0.753402 0.631561 ] [ 0.625028 0.246598 0.631561 ] [ 0.144743 0 0.860673 ] [ 0.10584 0.5 0.401066 ] [ 0.11754 0.5 0.83377 ] [ 0.644743 0.5 0.860673 ] [ 0.60584 0 0.401066 ] [ 0.61754 0 0.83377 ] [ 0.878856 0.745227 0.384155 ] [ 0.878856 0.254773 0.384155 ] [ 0.869999 0.259252 0.862984 ] [ 0.869999 0.740748 0.862984 ] [ 0.130089 0 0.403237 ] [ 0.378856 0.245227 0.384155 ] [ 0.378856 0.754773 0.384155 ] [ 0.369999 0.759252 0.862984 ] [ 0.369999 0.240748 0.862984 ] [ 0.630089 0.5 0.403237 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "O" "O" "O" "O" "O" "O" "F" "F" "F" "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" 10.50656371 "source-unit" "angstrom" } "b" { "source-value" 5.70660894 "source-unit" "angstrom" } "c" { "source-value" 5.88633053 "source-unit" "angstrom" } "beta" { "source-value" 124.2632372 "source-unit" "degree" } }