{ "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" [ [ 0.511158 0.494317 0.99664 ] [ 0.497637 0.167858 0.334791 ] [ 0.49926 0.832329 0.665845 ] [ 0.003364 0.665619 0.331291 ] [ 0.991843 0.334534 0.673353 ] [ 0.994362 0.006576 0.998805 ] [ 0.804904 0.296342 0.899171 ] [ 0.803955 0.631437 0.564711 ] [ 0.803673 0.964688 0.23248 ] [ 0.696634 0.797781 0.897969 ] [ 0.694754 0.465462 0.233199 ] [ 0.697103 0.129597 0.565185 ] [ 0.303782 0.868587 0.433521 ] [ 0.304405 0.535052 0.767889 ] [ 0.303434 0.203394 0.101964 ] [ 0.198774 0.035661 0.767581 ] [ 0.192611 0.368033 0.439088 ] [ 0.198348 0.702731 0.096517 ] ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.69776339 "source-unit" "angstrom" } "b" { "source-value" 5.63391842 "source-unit" "angstrom" } "c" { "source-value" 7.78905712 "source-unit" "angstrom" } "alpha" { "source-value" 86.40087565 "source-unit" "degree" } "beta" { "source-value" 89.67108664 "source-unit" "degree" } "gamma" { "source-value" 89.57414011 "source-unit" "degree" } }