{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.275587 0.462525 0.169928 ] [ 0.484415 0.179725 0.272542 ] [ 0.78997 0.667055 0.504039 ] [ 0.700363 0.503169 0.812583 ] [ 0.847384 0.180656 0.677371 ] [ 0.017718 0.010282 0.999285 ] [ 0.687584 0.865971 0.156021 ] [ 0.176455 0.660371 0.881836 ] [ 0.841439 0.374001 0.185081 ] [ 0.362335 0.224953 0.826023 ] [ 0.205631 0.353949 0.481855 ] [ 0.527058 0.823413 0.685893 ] [ 0.150728 0.819994 0.328903 ] [ 0.964859 0.637138 0.989342 ] [ 0.661443 0.076768 0.354139 ] [ 0.363574 0.648331 0.1018 ] [ 0.289343 0.964424 0.036704 ] [ 0.109621 0.31482 0.694309 ] [ 0.6613 0.406414 0.315926 ] [ 0.695074 0.01642 0.998024 ] [ 0.902134 0.675557 0.32444 ] [ 0.389442 0.649912 0.768286 ] [ 0.877037 0.933233 0.636521 ] [ 0.300165 0.951021 0.648417 ] [ 0.664663 0.344409 0.926552 ] [ 0.431695 0.307624 0.634794 ] [ 0.245782 0.604362 0.382331 ] [ 0.713053 0.66121 0.700787 ] [ 0.01911 0.271099 0.985453 ] [ 0.003717 0.025911 0.274406 ] [ 0.29132 0.270286 0.251411 ] ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "O" "O" "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" 8.45282913 "source-unit" "angstrom" } "b" { "source-value" 8.50874069 "source-unit" "angstrom" } "c" { "source-value" 8.69942268 "source-unit" "angstrom" } "alpha" { "source-value" 110.7402323 "source-unit" "degree" } "beta" { "source-value" 109.57399609 "source-unit" "degree" } "gamma" { "source-value" 104.76771937 "source-unit" "degree" } }