{ "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" [ [ 0.164955 0.547635 0.120589 ] [ 0.516304 0.16425 0.862071 ] [ 0.490844 0.938092 0.48006 ] [ 0.766436 0.446315 0.703182 ] [ 0.007814 0.998274 0.018185 ] [ 0.993465 0.000323 0.502782 ] [ 0.661801 0.374123 0.259958 ] [ 0.342418 0.633637 0.769754 ] [ 0.721127 0.237359 0.417708 ] [ 0.279301 0.799881 0.63222 ] [ 0.326213 0.335751 0.657867 ] [ 0.140961 0.65212 0.881157 ] [ 0.855643 0.333556 0.142606 ] [ 0.639654 0.741883 0.910909 ] [ 0.675673 0.670074 0.366587 ] [ 0.372011 0.255691 0.096579 ] [ 0.817052 0.109317 0.744562 ] [ 0.156208 0.893349 0.274633 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "P" "P" "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" 5.36667097019 "source-unit" "angstrom" } "b" { "source-value" 5.44785501062 "source-unit" "angstrom" } "c" { "source-value" 7.52903666255 "source-unit" "angstrom" } "alpha" { "source-value" 107.656793574 "source-unit" "degree" } "beta" { "source-value" 108.302230732 "source-unit" "degree" } "gamma" { "source-value" 95.533505603 "source-unit" "degree" } }