{ "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" [ [ 0.270424 0.630093 0.75877 ] [ 0.729576 0.369907 0.24123 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.323845 0.637323 0.250721 ] [ 0.676155 0.362677 0.749279 ] [ 0.606015 0.751049 0.414759 ] [ 0.393985 0.248951 0.585241 ] [ 0.103569 0.649017 0.348139 ] [ 0.896431 0.350983 0.651861 ] [ 0.316697 0.352551 0.14405 ] [ 0.683303 0.647449 0.85595 ] [ 0.275718 0.774239 0.097568 ] [ 0.724282 0.225761 0.902432 ] [ 0.122979 0.919103 0.756788 ] [ 0.877021 0.080897 0.243212 ] ] } "species" { "source-value" [ "Li" "Li" "Ni" "Ni" "S" "S" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.16197517 "source-unit" "angstrom" } "b" { "source-value" 5.43472023 "source-unit" "angstrom" } "c" { "source-value" 7.18979498 "source-unit" "angstrom" } "alpha" { "source-value" 106.98047663 "source-unit" "degree" } "beta" { "source-value" 107.1856169 "source-unit" "degree" } "gamma" { "source-value" 98.11375478 "source-unit" "degree" } }