{ "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" [ [ 0.437958 0.053459 0.23941 ] [ 0.562042 0.946541 0.76059 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.123557 0.264252 0.744014 ] [ 0.340864 0.718724 0.445141 ] [ 0.117455 0.792558 0.87299 ] [ 0.329041 0.283493 0.370369 ] [ 0.381013 0.17475 0.99323 ] [ 0.876443 0.735748 0.255986 ] [ 0.618987 0.82525 0.00677 ] [ 0.670959 0.716507 0.629631 ] [ 0.882545 0.207442 0.12701 ] [ 0.659136 0.281276 0.554859 ] ] } "species" { "source-value" [ "Li" "Li" "Mn" "Mn" "F" "F" "F" "F" "F" "F" "F" "F" "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" 5.29252653 "source-unit" "angstrom" } "b" { "source-value" 5.61769502 "source-unit" "angstrom" } "c" { "source-value" 7.13515104 "source-unit" "angstrom" } "alpha" { "source-value" 106.90294047 "source-unit" "degree" } "beta" { "source-value" 95.00865996 "source-unit" "degree" } "gamma" { "source-value" 114.5211822 "source-unit" "degree" } }