{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pna2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.793351 0.869112 0.079914 ] [ 0.192849 0.118915 0.162587 ] [ 0.692849 0.618915 0.337413 ] [ 0.293351 0.369112 0.420086 ] [ 0.706649 0.869112 0.579914 ] [ 0.307151 0.118915 0.662587 ] [ 0.807151 0.618915 0.837413 ] [ 0.206649 0.369112 0.920086 ] [ 0.687925 0.368524 0.084759 ] [ 0.187925 0.868524 0.415241 ] [ 0.812075 0.368524 0.584759 ] [ 0.312075 0.868524 0.915241 ] [ 0.193077 0.613537 0.165027 ] [ 0.693077 0.113537 0.334973 ] [ 0.306923 0.613537 0.665027 ] [ 0.806923 0.113537 0.834973 ] [ 0.204508 0.867096 0.060867 ] [ 0.359208 0.366462 0.086391 ] [ 0.79479 0.581129 0.157702 ] [ 0.790965 0.157325 0.159157 ] [ 0.290965 0.657325 0.340843 ] [ 0.29479 0.081129 0.342298 ] [ 0.859208 0.866462 0.413609 ] [ 0.704508 0.367096 0.439133 ] [ 0.295492 0.867096 0.560867 ] [ 0.140792 0.366462 0.586391 ] [ 0.70521 0.581129 0.657702 ] [ 0.709035 0.157325 0.659157 ] [ 0.209035 0.657325 0.840843 ] [ 0.20521 0.081129 0.842298 ] [ 0.640792 0.866462 0.913609 ] [ 0.795492 0.367096 0.939133 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Si" "Si" "Si" "Si" "Ni" "Ni" "Ni" "Ni" "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" 5.02149307 "source-unit" "angstrom" } "b" { "source-value" 6.40309962 "source-unit" "angstrom" } "c" { "source-value" 10.67605811 "source-unit" "angstrom" } }