{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.34584 0.055749 0.680062 ] [ 0.65416 0.555749 0.819938 ] [ 0.65416 0.944251 0.319938 ] [ 0.34584 0.444251 0.180062 ] [ 0.148568 0.510364 0.868186 ] [ 0.851432 0.010364 0.631814 ] [ 0.851432 0.489636 0.131814 ] [ 0.148568 0.989636 0.368186 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.492261 0.257454 0.372931 ] [ 0.507739 0.757454 0.127069 ] [ 0.507739 0.742546 0.627069 ] [ 0.492261 0.242546 0.872931 ] [ 0.620516 0.279625 0.634582 ] [ 0.379484 0.779625 0.865418 ] [ 0.379484 0.720375 0.365418 ] [ 0.620516 0.220375 0.134582 ] [ 0.250905 0.33088 0.503595 ] [ 0.749095 0.83088 0.996405 ] [ 0.749095 0.66912 0.496405 ] [ 0.250905 0.16912 0.003595 ] [ 0.046009 0.148656 0.165762 ] [ 0.953991 0.648656 0.334238 ] [ 0.953991 0.851344 0.834238 ] [ 0.046009 0.351344 0.665762 ] [ 0.891363 0.301521 0.926177 ] [ 0.108637 0.801521 0.573823 ] [ 0.108637 0.698479 0.073823 ] [ 0.891363 0.198479 0.426177 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Mn" "Mn" "Mn" "Mn" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.8507814903 "source-unit" "angstrom" } "b" { "source-value" 5.33626279 "source-unit" "angstrom" } "c" { "source-value" 11.0276601362 "source-unit" "angstrom" } "beta" { "source-value" 108.672857883 "source-unit" "degree" } }