{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.729899 0.70817 0.102961 ] [ 0.729899 0.79183 0.602961 ] [ 0.270101 0.20817 0.397039 ] [ 0.270101 0.29183 0.897039 ] [ 0.764626 0.378968 0.168866 ] [ 0.764626 0.121032 0.668866 ] [ 0.235374 0.878968 0.331134 ] [ 0.235374 0.621032 0.831134 ] [ 0.755414 0.51324 0.203069 ] [ 0.755414 0.98676 0.703069 ] [ 0.635648 0.54793 0.489178 ] [ 0.778683 0.334052 0.033852 ] [ 0.759653 0.276488 0.26997 ] [ 0.635648 0.95207 0.989178 ] [ 0.778683 0.165948 0.533852 ] [ 0.759653 0.223512 0.76997 ] [ 0.240347 0.776488 0.23003 ] [ 0.221317 0.834052 0.466148 ] [ 0.364352 0.04793 0.010822 ] [ 0.240347 0.723512 0.73003 ] [ 0.221317 0.665948 0.966148 ] [ 0.364352 0.45207 0.510822 ] [ 0.244586 0.01324 0.296931 ] [ 0.244586 0.48676 0.796931 ] ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "C" "C" "C" "C" "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" 3.15000457 "source-unit" "angstrom" } "b" { "source-value" 9.02426752 "source-unit" "angstrom" } "c" { "source-value" 9.24386538 "source-unit" "angstrom" } "beta" { "source-value" 92.10923366 "source-unit" "degree" } }