{ "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" [ [ 0.517101 0.25 0.215305 ] [ 0.017101 0.75 0.284695 ] [ 0.982899 0.25 0.715305 ] [ 0.482899 0.75 0.784695 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.586951 0.75 0.092397 ] [ 0.086951 0.25 0.407603 ] [ 0.913049 0.75 0.592397 ] [ 0.413049 0.25 0.907603 ] [ 0.272329 0.25 0.04928 ] [ 0.255437 0.75 0.085663 ] [ 0.711236 0.958047 0.156496 ] [ 0.711236 0.541953 0.156496 ] [ 0.211236 0.458047 0.343504 ] [ 0.211236 0.041953 0.343504 ] [ 0.755437 0.25 0.414337 ] [ 0.772329 0.75 0.450719 ] [ 0.227671 0.25 0.54928 ] [ 0.244563 0.75 0.585663 ] [ 0.788764 0.958047 0.656496 ] [ 0.788764 0.541953 0.656496 ] [ 0.288764 0.458047 0.843504 ] [ 0.288764 0.041953 0.843504 ] [ 0.744563 0.25 0.914337 ] [ 0.727671 0.75 0.95072 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ni" "Ni" "Ni" "Ni" "P" "P" "P" "P" "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" 4.65855625 "source-unit" "angstrom" } "b" { "source-value" 6.11888514 "source-unit" "angstrom" } "c" { "source-value" 10.27901413 "source-unit" "angstrom" } }