{ "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" [ [ 0.509287 0.775375 0.402346 ] [ 0 0.5 0.5 ] [ 0.490713 0.224625 0.597654 ] [ 0.021462 0.884007 0.686892 ] [ 0.978538 0.115993 0.313108 ] [ 0.5 0 0 ] [ 0.969957 0.310147 0.898714 ] [ 0.030043 0.689853 0.101286 ] [ 0.222983 0.966286 0.856126 ] [ 0.783791 0.88991 0.527296 ] [ 0.783791 0.676146 0.93969 ] [ 0.256587 0.793244 0.228862 ] [ 0.204724 0.550941 0.661162 ] [ 0.795276 0.449059 0.338838 ] [ 0.743413 0.206756 0.771138 ] [ 0.216209 0.323854 0.06031 ] [ 0.216209 0.11009 0.472704 ] [ 0.777017 0.033714 0.143874 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Ti" "Ti" "V" "V" "V" "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" 5.14980183 "source-unit" "angstrom" } "b" { "source-value" 5.2162517 "source-unit" "angstrom" } "c" { "source-value" 7.81132511 "source-unit" "angstrom" } "alpha" { "source-value" 73.32847125 "source-unit" "degree" } "beta" { "source-value" 72.87705361 "source-unit" "degree" } "gamma" { "source-value" 78.20147302 "source-unit" "degree" } }