{ "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" [ [ 0.376181 0.172822 0.675344 ] [ 0.623819 0.827178 0.324656 ] [ 0.233843 0.102636 0.276062 ] [ 0.680258 0.377749 0.101624 ] [ 0.319742 0.622251 0.898376 ] [ 0.766157 0.897364 0.723938 ] [ 0.856059 0.242444 0.432939 ] [ 0.110054 0.244071 0.929575 ] [ 0.889946 0.755929 0.070425 ] [ 0.143941 0.757556 0.567061 ] [ 0.889406 0.429102 0.629068 ] [ 0.110594 0.570898 0.370932 ] [ 0.611293 0.088446 0.36288 ] [ 0.085309 0.086886 0.822133 ] [ 0.825898 0.263774 0.942229 ] [ 0.773094 0.311672 0.589864 ] [ 0.122566 0.195051 0.475 ] [ 0.89642 0.377273 0.3226 ] [ 0.273356 0.243092 0.09762 ] [ 0.304583 0.3861 0.86059 ] [ 0.695417 0.6139 0.13941 ] [ 0.726644 0.756908 0.90238 ] [ 0.10358 0.622727 0.6774 ] [ 0.877434 0.804949 0.525 ] [ 0.226906 0.688328 0.410136 ] [ 0.174102 0.736226 0.057771 ] [ 0.914691 0.913114 0.177867 ] [ 0.388707 0.911554 0.63712 ] ] } "species" { "source-value" [ "Li" "Li" "Fe" "Fe" "Fe" "Fe" "P" "P" "P" "P" "H" "H" "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" 5.14412914 "source-unit" "angstrom" } "b" { "source-value" 8.58588927 "source-unit" "angstrom" } "c" { "source-value" 8.68277282 "source-unit" "angstrom" } "alpha" { "source-value" 94.51511042 "source-unit" "degree" } "beta" { "source-value" 98.2934906 "source-unit" "degree" } "gamma" { "source-value" 106.93399707 "source-unit" "degree" } }