{ "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" [ [ 0.541196 0.782124 0.394196 ] [ 0.458804 0.217876 0.605804 ] [ 0.010274 0.871537 0.682323 ] [ 0.989726 0.128463 0.317677 ] [ 0.5 0 0 ] [ 0.968272 0.311105 0.89247 ] [ 0.031728 0.688895 0.10753 ] [ 0.217776 0.960767 0.857977 ] [ 0.773998 0.931463 0.513565 ] [ 0.784 0.678847 0.935942 ] [ 0.285371 0.814011 0.210976 ] [ 0.175959 0.525437 0.680627 ] [ 0.824041 0.474563 0.319373 ] [ 0.714629 0.185989 0.789024 ] [ 0.216 0.321153 0.064058 ] [ 0.226002 0.068537 0.486435 ] [ 0.782224 0.039233 0.142023 ] ] } "species" { "source-value" [ "Li" "Li" "Ti" "Ti" "Fe" "Fe" "Fe" "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" 5.11913158 "source-unit" "angstrom" } "b" { "source-value" 5.21587779 "source-unit" "angstrom" } "c" { "source-value" 7.80852074 "source-unit" "angstrom" } "alpha" { "source-value" 75.66962909 "source-unit" "degree" } "beta" { "source-value" 76.38870869 "source-unit" "degree" } "gamma" { "source-value" 77.31275209 "source-unit" "degree" } }