{ "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" [ [ 0.653766 0.957281 0.277245 ] [ 0.84437 0.546775 0.219138 ] [ 0.153327 0.454256 0.781815 ] [ 0.346581 0.042384 0.723671 ] [ 0.169469 0.184543 0.418848 ] [ 0.836321 0.818042 0.580907 ] [ 0.664894 0.680663 0.913845 ] [ 0.333356 0.320284 0.083581 ] [ 0.17044 0.835268 0.092551 ] [ 0.329492 0.666674 0.406078 ] [ 0.670085 0.333343 0.596108 ] [ 0.82807 0.163677 0.905733 ] [ 0.911198 0.821633 0.116272 ] [ 0.682223 0.982811 0.808432 ] [ 0.206469 0.83365 0.52295 ] [ 0.589749 0.680696 0.384553 ] [ 0.182895 0.487933 0.306205 ] [ 0.705848 0.334623 0.018308 ] [ 0.295889 0.662942 0.980197 ] [ 0.819167 0.514097 0.691529 ] [ 0.409953 0.322938 0.621916 ] [ 0.787867 0.162244 0.480166 ] [ 0.318706 0.016537 0.1876 ] [ 0.089865 0.176706 0.882352 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Fe" "Fe" "Fe" "B" "B" "B" "B" "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" 5.22415118 "source-unit" "angstrom" } "b" { "source-value" 5.99803648 "source-unit" "angstrom" } "c" { "source-value" 8.21985951 "source-unit" "angstrom" } "alpha" { "source-value" 103.04925429 "source-unit" "degree" } "beta" { "source-value" 90.52374041 "source-unit" "degree" } "gamma" { "source-value" 91.11324645 "source-unit" "degree" } }