{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.203406 0.5 0.39305 ] [ 0.796594 0.5 0.60695 ] [ 0.194685 0 0.900543 ] [ 0.805315 0 0.099457 ] [ 0.124264 0.5 0.205508 ] [ 0.864497 0 0.297633 ] [ 0.700169 0.5 0.403352 ] [ 0.5 0 0.5 ] [ 0.299831 0.5 0.596648 ] [ 0.135503 0 0.702367 ] [ 0.875736 0.5 0.794492 ] [ 0.709014 0 0.903984 ] [ 0.290986 0 0.096016 ] [ 0.5 0.5 0 ] [ 0.073749 0.5 0.10444 ] [ 0.329336 0 0.196949 ] [ 0.899165 0 0.20207 ] [ 0.655587 0.5 0.313685 ] [ 0.090356 0.5 0.300516 ] [ 0.475099 0 0.405287 ] [ 0.910558 0 0.398415 ] [ 0.724136 0.5 0.49333 ] [ 0.275864 0.5 0.50667 ] [ 0.524901 0 0.594713 ] [ 0.089442 0 0.601585 ] [ 0.344413 0.5 0.686315 ] [ 0.909644 0.5 0.699484 ] [ 0.670664 0 0.803051 ] [ 0.100835 0 0.79793 ] [ 0.474625 0.5 0.910807 ] [ 0.926251 0.5 0.89556 ] [ 0.706905 0 0.000439 ] [ 0.293095 0 0.999561 ] [ 0.525375 0.5 0.089193 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Co" "O" "O" "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" 5.95307645 "source-unit" "angstrom" } "b" { "source-value" 2.93307689 "source-unit" "angstrom" } "c" { "source-value" 21.25019883 "source-unit" "angstrom" } "beta" { "source-value" 97.96934903 "source-unit" "degree" } }