{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.771757 0.25 0.888493 ] [ 0.228243 0.75 0.111507 ] [ 0.800589 0.75 0.66591 ] [ 0.199411 0.25 0.33409 ] [ 0.734894 0.25 0.576361 ] [ 0.265106 0.75 0.423639 ] [ 0.702457 0.75 0.955904 ] [ 0.297543 0.25 0.044096 ] [ 0.943496 0.75 0.931041 ] [ 0.385291 0.25 0.910484 ] [ 0.539346 0.75 0.827669 ] [ 0.800529 0.06255 0.689453 ] [ 0.800529 0.43745 0.689453 ] [ 0.117351 0.75 0.571942 ] [ 0.443362 0.25 0.518827 ] [ 0.556638 0.75 0.481173 ] [ 0.882649 0.25 0.428058 ] [ 0.199471 0.56255 0.310547 ] [ 0.199471 0.93745 0.310547 ] [ 0.460654 0.25 0.172331 ] [ 0.614709 0.75 0.089516 ] [ 0.056504 0.25 0.068959 ] ] } "species" { "source-value" [ "Li" "Li" "Fe" "Fe" "P" "P" "C" "C" "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" 5.2029483 "source-unit" "angstrom" } "b" { "source-value" 6.43013285 "source-unit" "angstrom" } "c" { "source-value" 8.45524426 "source-unit" "angstrom" } "beta" { "source-value" 95.86776744 "source-unit" "degree" } }