{ "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 0 ] [ 0.5 0 0 ] [ 0.235585 0.773658 0.659585 ] [ 0.250614 0.719434 0.159811 ] [ 0.749386 0.280566 0.840189 ] [ 0.764415 0.226342 0.340415 ] [ 0.5 0.5 0.5 ] [ 0.254175 0.368757 0.871626 ] [ 0.250315 0.125425 0.372602 ] [ 0.749685 0.874575 0.627398 ] [ 0.745825 0.631243 0.128374 ] [ 0.056151 0.249115 0.861863 ] [ 0.058117 0.247306 0.37062 ] [ 0.250921 0.009831 0.545864 ] [ 0.247674 0.485884 0.045237 ] [ 0.244786 0.836469 0.885599 ] [ 0.278611 0.656408 0.384391 ] [ 0.272135 0.495577 0.70443 ] [ 0.251408 0.000124 0.202615 ] [ 0.441877 0.241599 0.879638 ] [ 0.441838 0.253956 0.368868 ] [ 0.558162 0.746044 0.631132 ] [ 0.558123 0.758401 0.120362 ] [ 0.748592 0.999876 0.797385 ] [ 0.727865 0.504423 0.29557 ] [ 0.721389 0.343592 0.615609 ] [ 0.755214 0.163531 0.114401 ] [ 0.752326 0.514116 0.954763 ] [ 0.749079 0.990169 0.454136 ] [ 0.941883 0.752694 0.62938 ] [ 0.943849 0.750885 0.138137 ] ] } "species" { "source-value" [ "Li" "Li" "Ti" "Ti" "Ti" "Ti" "Ni" "P" "P" "P" "P" "O" "O" "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" 6.4679221 "source-unit" "angstrom" } "b" { "source-value" 7.31638094 "source-unit" "angstrom" } "c" { "source-value" 7.4279355 "source-unit" "angstrom" } "alpha" { "source-value" 90.19003736 "source-unit" "degree" } "beta" { "source-value" 90.26865056 "source-unit" "degree" } "gamma" { "source-value" 90.75905068 "source-unit" "degree" } }