{ "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" [ [ 0.50054 0.003072 0.001816 ] [ 0.500108 0.996705 0.496487 ] [ 0.499715 0.501796 0.501012 ] [ 0.499876 0.496093 0.997423 ] [ 0.501013 0.220865 0.747504 ] [ 0.501789 0.756011 0.221098 ] [ 0.997626 0.026072 0.251985 ] [ 0.003981 0.252277 0.474998 ] [ 0.996403 0.252272 0.02631 ] [ 0.00316 0.475339 0.252114 ] [ 0.997639 0.525212 0.749342 ] [ 0.00197 0.749087 0.973692 ] [ 0.996801 0.748598 0.525725 ] [ 0.001437 0.97374 0.749619 ] [ 0.753614 0.050455 0.679159 ] [ 0.246474 0.052982 0.823441 ] [ 0.140283 0.134328 0.135098 ] [ 0.852738 0.135099 0.365504 ] [ 0.247726 0.179052 0.553264 ] [ 0.750137 0.178758 0.947561 ] [ 0.759374 0.322459 0.548707 ] [ 0.243401 0.323123 0.952899 ] [ 0.850747 0.364907 0.136095 ] [ 0.156981 0.363938 0.364463 ] [ 0.755304 0.450792 0.823619 ] [ 0.243369 0.452818 0.679269 ] [ 0.7591 0.548229 0.323236 ] [ 0.246688 0.553493 0.179707 ] [ 0.149317 0.637691 0.867195 ] [ 0.845899 0.637243 0.637633 ] [ 0.242979 0.678345 0.454533 ] [ 0.754769 0.679315 0.050592 ] [ 0.246909 0.823941 0.052244 ] [ 0.754517 0.823193 0.450284 ] [ 0.85578 0.866995 0.866967 ] [ 0.147405 0.867327 0.637738 ] [ 0.244293 0.950727 0.322654 ] [ 0.750133 0.947709 0.17895 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ni" "Ni" "P" "P" "P" "P" "P" "P" "P" "P" "O" "O" "O" "O" "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" 4.63260221 "source-unit" "angstrom" } "b" { "source-value" 9.30633171 "source-unit" "angstrom" } "c" { "source-value" 9.32088682 "source-unit" "angstrom" } "alpha" { "source-value" 90.01091863 "source-unit" "degree" } "beta" { "source-value" 90.85707955 "source-unit" "degree" } "gamma" { "source-value" 90.68681321 "source-unit" "degree" } }