{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.964889 0.5 0.851463 ] [ 0.793157 0.5 0.945081 ] [ 0.042071 0 0.618898 ] [ 0.894801 0 0.743191 ] [ 0.820733 0.5 0.588218 ] [ 0.10908 0.5 0.750655 ] [ 0.235198 0.5 0.446678 ] [ 0.969617 0.5 0.478054 ] [ 0.16856 0 0.30542 ] [ 0.88013 0 0.329205 ] [ 0.087803 0.5 0.1611 ] [ 0.80458 0.5 0.188016 ] [ 0.004769 0 0.012523 ] [ 0.235494 0.5 0.059037 ] [ 0.464889 0 0.851463 ] [ 0.293157 0 0.945081 ] [ 0.542071 0.5 0.618898 ] [ 0.394801 0.5 0.743191 ] [ 0.320733 0 0.588218 ] [ 0.60908 0 0.750655 ] [ 0.735198 0 0.446678 ] [ 0.469617 0 0.478054 ] [ 0.66856 0.5 0.30542 ] [ 0.38013 0.5 0.329205 ] [ 0.587803 0 0.1611 ] [ 0.30458 0 0.188016 ] [ 0.504769 0.5 0.012523 ] [ 0.735494 0 0.059037 ] [ 0.126769 0.5 0.943647 ] [ 0.244021 0 0.815126 ] [ 0.21999 0.5 0.651747 ] [ 0.132552 0 0.509251 ] [ 0.04592 0.5 0.365989 ] [ 0.976636 0 0.221157 ] [ 0.897991 0.5 0.075067 ] [ 0.626769 0 0.943647 ] [ 0.744021 0.5 0.815126 ] [ 0.71999 0 0.651747 ] [ 0.632552 0.5 0.509251 ] [ 0.54592 0 0.365989 ] [ 0.476636 0.5 0.221157 ] [ 0.397991 0 0.075067 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.7769043 "source-unit" "angstrom" } "b" { "source-value" 3.00335124 "source-unit" "angstrom" } "c" { "source-value" 17.84476579 "source-unit" "angstrom" } "beta" { "source-value" 96.88267306 "source-unit" "degree" } }