{ "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" [ [ 0.857104 0.13093 0.461392 ] [ 0.190596 0.463245 0.794959 ] [ 0.0033 0.031899 0.789298 ] [ 0.646694 0.613565 0.882023 ] [ 0.319821 0.29033 0.546286 ] [ 0.683904 0.708039 0.450852 ] [ 0.331888 0.377587 0.128305 ] [ 0.000218 0.953212 0.202064 ] [ 0.748895 0.411988 0.663446 ] [ 0.070636 0.726652 0.999205 ] [ 0.418199 0.092995 0.33105 ] [ 0.581953 0.924497 0.671573 ] [ 0.918784 0.26021 0.001001 ] [ 0.256882 0.588555 0.334247 ] [ 0.674052 0.35318 0.995238 ] [ 0.090601 0.20954 0.907012 ] [ 0.000238 0.359082 0.677549 ] [ 0.561337 0.477313 0.752274 ] [ 0.682788 0.384758 0.55665 ] [ 0.01095 0.708471 0.890072 ] [ 0.668194 0.027497 0.340984 ] [ 0.632979 0.894511 0.785782 ] [ 0.229572 0.144149 0.423657 ] [ 0.760178 0.874775 0.578455 ] [ 0.338151 0.09048 0.223974 ] [ 0.345252 0.028932 0.659584 ] [ 0.992114 0.242082 0.110669 ] [ 0.312526 0.57258 0.446411 ] [ 0.433025 0.508933 0.248322 ] [ 0.026336 0.695043 0.316823 ] [ 0.899895 0.818755 0.081646 ] [ 0.311742 0.640058 0.016013 ] ] } "species" { "source-value" [ "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "B" "B" "B" "B" "B" "B" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.23071429 "source-unit" "angstrom" } "b" { "source-value" 6.19389479 "source-unit" "angstrom" } "c" { "source-value" 11.80758933 "source-unit" "angstrom" } "alpha" { "source-value" 81.8377981 "source-unit" "degree" } "beta" { "source-value" 77.62453414 "source-unit" "degree" } "gamma" { "source-value" 88.02248576 "source-unit" "degree" } }