{ "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" [ [ 0.004379 0.339864 0.374156 ] [ 0 0 0.5 ] [ 0.995621 0.660136 0.625844 ] [ 0.003481 0.704854 0.982791 ] [ 0.996519 0.295146 0.017209 ] [ 0.501393 0.832601 0.225727 ] [ 0.506397 0.499416 0.333604 ] [ 0.502295 0.16758 0.440859 ] [ 0.497705 0.83242 0.559141 ] [ 0.493603 0.500584 0.666396 ] [ 0.498607 0.167399 0.774273 ] [ 0.494351 0.834341 0.892025 ] [ 0.5 0.5 0 ] [ 0.505649 0.165659 0.107975 ] [ 0.695774 0.399692 0.164989 ] [ 0.327041 0.255617 0.255624 ] [ 0.684041 0.085135 0.295438 ] [ 0.687149 0.740465 0.426014 ] [ 0.321582 0.928204 0.384018 ] [ 0.689815 0.402973 0.504444 ] [ 0.310185 0.597027 0.495556 ] [ 0.678418 0.071796 0.615982 ] [ 0.672959 0.744383 0.744376 ] [ 0.312851 0.259535 0.573986 ] [ 0.315959 0.914865 0.704562 ] [ 0.678075 0.423565 0.852079 ] [ 0.304226 0.600308 0.835011 ] [ 0.68199 0.066135 0.970228 ] [ 0.32775 0.261461 0.935483 ] [ 0.67225 0.738539 0.064517 ] [ 0.31801 0.933865 0.029772 ] [ 0.321925 0.576435 0.147921 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "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" 5.7379025 "source-unit" "angstrom" } "b" { "source-value" 7.47882631 "source-unit" "angstrom" } "c" { "source-value" 8.59253569 "source-unit" "angstrom" } "alpha" { "source-value" 100.52895329 "source-unit" "degree" } "beta" { "source-value" 105.50939697 "source-unit" "degree" } "gamma" { "source-value" 95.43694945 "source-unit" "degree" } }