{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0.252102 0.088394 0.745438 ] [ 0.752675 0.75338 0.249938 ] [ 0 0.909048 0.5 ] [ 0.747898 0.088394 0.254562 ] [ 0.247325 0.75338 0.750062 ] [ 0.236177 0.906704 0.255496 ] [ 0.5 0.751238 0.5 ] [ 0.763823 0.906704 0.744504 ] [ 0.752102 0.588394 0.745438 ] [ 0.252675 0.25338 0.249938 ] [ 0.5 0.409048 0.5 ] [ 0.247898 0.588394 0.254562 ] [ 0.747325 0.25338 0.750062 ] [ 0.736177 0.406704 0.255496 ] [ 0 0.251238 0.5 ] [ 0.263823 0.406704 0.744504 ] [ 0.5 0.248871 0 ] [ 0.5 0.104531 0.5 ] [ 0.5 0.912503 0 ] [ 0 0.077198 0 ] [ 0 0.748871 0 ] [ 0 0.604531 0.5 ] [ 0 0.412503 0 ] [ 0.5 0.577198 0 ] [ 0.349554 0.065661 0.110117 ] [ 0.388164 0.242993 0.618972 ] [ 0.160142 0.920551 0.880137 ] [ 0.650446 0.065661 0.889883 ] [ 0.611836 0.242993 0.381028 ] [ 0.389617 0.759066 0.117616 ] [ 0.610383 0.759066 0.882384 ] [ 0.839858 0.920551 0.119863 ] [ 0.849554 0.565661 0.110117 ] [ 0.888164 0.742993 0.618972 ] [ 0.660142 0.420551 0.880137 ] [ 0.150446 0.565661 0.889883 ] [ 0.111836 0.742993 0.381028 ] [ 0.889617 0.259066 0.117616 ] [ 0.110383 0.259066 0.882384 ] [ 0.339858 0.420551 0.119863 ] [ 0.108594 0.080712 0.372178 ] [ 0.39218 0.930838 0.615574 ] [ 0.891406 0.080712 0.627822 ] [ 0.60782 0.930838 0.384426 ] [ 0.608594 0.580712 0.372178 ] [ 0.89218 0.430838 0.615574 ] [ 0.391406 0.580712 0.627822 ] [ 0.10782 0.430838 0.384426 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.17934116 "source-unit" "angstrom" } "b" { "source-value" 9.03401544 "source-unit" "angstrom" } "c" { "source-value" 9.78543704 "source-unit" "angstrom" } "beta" { "source-value" 99.43529116 "source-unit" "degree" } }