{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0 ] [ 0.399948 0.099431 0.200846 ] [ 0.401347 0.599993 0.200142 ] [ 0.800028 0.199184 0.401893 ] [ 0.200982 0.299566 0.598902 ] [ 0.799018 0.700434 0.401098 ] [ 0.199972 0.800816 0.598107 ] [ 0.598653 0.400007 0.799858 ] [ 0.600052 0.900569 0.799154 ] [ 0 0 0 ] [ 0.695934 0.298061 0.100065 ] [ 0.100535 0.398737 0.304039 ] [ 0.697244 0.803424 0.100927 ] [ 0.099062 0.90054 0.299785 ] [ 0.900938 0.09946 0.700215 ] [ 0.5 0.5 0.5 ] [ 0.302756 0.196576 0.899073 ] [ 0.899465 0.601263 0.695961 ] [ 0.5 0 0.5 ] [ 0.304066 0.701939 0.899935 ] ] } "species" { "source-value" [ "Zn" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "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" 5.1949486 "source-unit" "angstrom" } "b" { "source-value" 5.99848092 "source-unit" "angstrom" } "c" { "source-value" 6.70847343 "source-unit" "angstrom" } "alpha" { "source-value" 77.09430924 "source-unit" "degree" } "beta" { "source-value" 75.01823823 "source-unit" "degree" } "gamma" { "source-value" 73.21405905 "source-unit" "degree" } }