{ "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" [ [ 0.994712 0.748032 0.871687 ] [ 0.005288 0.251968 0.128313 ] [ 0.000295 0.746021 0.377644 ] [ 0.999705 0.253979 0.622356 ] [ 0.5 0.5 0 ] [ 0.498435 0.997333 0.252071 ] [ 0.501565 0.002667 0.747929 ] [ 0.5 0.5 0.5 ] [ 0.723271 0.869994 0.054066 ] [ 0.276729 0.130006 0.945934 ] [ 0.722792 0.369133 0.304024 ] [ 0.271363 0.635441 0.186581 ] [ 0.730221 0.881912 0.55522 ] [ 0.269779 0.118088 0.44478 ] [ 0.728637 0.364559 0.813419 ] [ 0.277208 0.630867 0.695976 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Ni" "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" 5.10062736 "source-unit" "angstrom" } "b" { "source-value" 5.11077826 "source-unit" "angstrom" } "c" { "source-value" 5.87826618 "source-unit" "angstrom" } "alpha" { "source-value" 90.10517838 "source-unit" "degree" } "beta" { "source-value" 106.67186941 "source-unit" "degree" } "gamma" { "source-value" 99.52520603 "source-unit" "degree" } }