{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.69456 0.41628 0.875323 ] [ 0.858799 0.655405 0.384444 ] [ 0.61047 0.151027 0.337711 ] [ 0.39186 0.835772 0.644071 ] [ 0.144922 0.359473 0.619933 ] [ 0.320176 0.576582 0.124648 ] [ 0.999054 0.01161 0.004917 ] [ 0.197423 0.584519 0.406926 ] [ 0.40502 0.597215 0.820539 ] [ 0.106075 0.309196 0.938403 ] [ 0.065543 0.884504 0.698721 ] [ 0.304728 0.930514 0.122111 ] [ 0.607527 0.827014 0.425559 ] [ 0.380274 0.159576 0.568362 ] [ 0.885346 0.705459 0.055911 ] [ 0.572536 0.40614 0.181551 ] [ 0.82521 0.419651 0.597754 ] [ 0.674796 0.040338 0.875136 ] [ 0.955682 0.129726 0.317981 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "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" 5.98986105 "source-unit" "angstrom" } "b" { "source-value" 5.99895421 "source-unit" "angstrom" } "c" { "source-value" 6.0311237 "source-unit" "angstrom" } "alpha" { "source-value" 98.69824923 "source-unit" "degree" } "beta" { "source-value" 99.10400522 "source-unit" "degree" } "gamma" { "source-value" 98.84908447 "source-unit" "degree" } }