{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.426874 0.915267 0.947042 ] [ 0.573126 0.415267 0.052958 ] [ 0.063529 0.304645 0.555977 ] [ 0.936471 0.804645 0.444023 ] [ 0.512442 0.057099 0.433073 ] [ 0.487558 0.557099 0.566927 ] [ 0.990441 0.157364 0.063739 ] [ 0.009559 0.657364 0.936261 ] [ 0.465157 0.392613 0.704472 ] [ 0.224153 0.57236 0.442412 ] [ 0.290567 0.03042 0.573512 ] [ 0.709433 0.53042 0.426488 ] [ 0.029602 0.818461 0.793525 ] [ 0.970398 0.318461 0.206475 ] [ 0.946358 0.484051 0.820038 ] [ 0.053642 0.984051 0.179962 ] [ 0.791896 0.687207 0.079755 ] [ 0.455983 0.227383 0.310006 ] [ 0.274957 0.643131 0.057828 ] [ 0.725043 0.143131 0.942172 ] [ 0.208104 0.187207 0.920245 ] [ 0.534843 0.892613 0.295528 ] [ 0.544017 0.727383 0.689994 ] [ 0.775847 0.07236 0.557588 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Fe" "Fe" "Fe" "Fe" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.43493274364 "source-unit" "angstrom" } "b" { "source-value" 10.74034252 "source-unit" "angstrom" } "c" { "source-value" 9.53672483148 "source-unit" "angstrom" } "beta" { "source-value" 94.2360753311 "source-unit" "degree" } }