{ "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" [ [ 0.00003 0.250152 0.749863 ] [ 0.00047 0.250242 0.249965 ] [ 0 1 0.5 ] [ 0 0 0 ] [ 0.99953 0.749758 0.750035 ] [ 0.99997 0.749848 0.250137 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.499983 0.124818 0.374824 ] [ 0.500017 0.875182 0.625176 ] [ 0.50006 0.625143 0.374829 ] [ 0.500199 0.625213 0.875224 ] [ 0.49994 0.374857 0.625171 ] [ 0.499801 0.374787 0.124776 ] [ 0.499994 0.124821 0.875105 ] [ 0.500006 0.875179 0.124895 ] [ 0.273814 0.068417 0.689693 ] [ 0.274208 0.068179 0.189343 ] [ 0.724876 0.181479 0.56038 ] [ 0.72633 0.180827 0.060332 ] [ 0.275124 0.818521 0.43962 ] [ 0.726186 0.931583 0.310307 ] [ 0.27367 0.819173 0.939668 ] [ 0.725792 0.931821 0.810657 ] [ 0.275352 0.568798 0.689771 ] [ 0.724694 0.681103 0.560298 ] [ 0.274448 0.568901 0.189371 ] [ 0.725592 0.681579 0.060661 ] [ 0.275306 0.318897 0.439702 ] [ 0.724648 0.431202 0.310229 ] [ 0.274408 0.318421 0.939339 ] [ 0.725552 0.431099 0.810629 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Ga" "Ga" "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" 5.13872603 "source-unit" "angstrom" } "b" { "source-value" 5.9283941 "source-unit" "angstrom" } "c" { "source-value" 10.26889366 "source-unit" "angstrom" } "alpha" { "source-value" 90.00376632 "source-unit" "degree" } "beta" { "source-value" 99.59057196 "source-unit" "degree" } "gamma" { "source-value" 106.77944469 "source-unit" "degree" } }