{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R3" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.986641 ] [ 0.666667 0.333333 0.319975 ] [ 0.333333 0.666667 0.653308 ] [ 0 0 0.782487 ] [ 0.666667 0.333333 0.115821 ] [ 0.333333 0.666667 0.449154 ] [ 0 0 0.492843 ] [ 0.666667 0.333333 0.826176 ] [ 0.333333 0.666667 0.15951 ] [ 0 0 0.291672 ] [ 0.666667 0.333333 0.625005 ] [ 0.333333 0.666667 0.958339 ] [ 0.357116 0.364961 0.555031 ] [ 0.023783 0.698294 0.888364 ] [ 0.69045 0.031628 0.221697 ] [ 0.635039 0.992155 0.555031 ] [ 0.301706 0.325488 0.888364 ] [ 0.968372 0.658822 0.221697 ] [ 0.007845 0.642884 0.555031 ] [ 0.674512 0.976217 0.888364 ] [ 0.341178 0.30955 0.221697 ] [ 0.292485 0.996445 0.38323 ] [ 0.959152 0.329778 0.716564 ] [ 0.625818 0.663111 0.049897 ] [ 0.70396 0.707515 0.38323 ] [ 0.370626 0.040848 0.716564 ] [ 0.037293 0.374182 0.049897 ] [ 0.003555 0.29604 0.38323 ] [ 0.670222 0.629374 0.716564 ] [ 0.336889 0.962707 0.049897 ] ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Te" "Te" "Te" "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" 5.16900015182 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }