{ "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" [ [ 0.451252 0.367853 0.655145 ] [ 0.048748 0.867853 0.844855 ] [ 0.548748 0.632147 0.344855 ] [ 0.951252 0.132147 0.155145 ] [ 0.455454 0.149321 0.632689 ] [ 0.044546 0.649321 0.867311 ] [ 0.544546 0.850679 0.367311 ] [ 0.955454 0.350679 0.132689 ] [ 0.037907 0.107327 0.868216 ] [ 0.462093 0.607327 0.631784 ] [ 0.962093 0.892673 0.131784 ] [ 0.537907 0.392673 0.368216 ] [ 0.870578 0.123177 0.417731 ] [ 0.629422 0.623177 0.082269 ] [ 0.129422 0.876823 0.582269 ] [ 0.370578 0.376823 0.917731 ] [ 0.229712 0.126376 0.227647 ] [ 0.270288 0.626376 0.272353 ] [ 0.770288 0.873624 0.772353 ] [ 0.729712 0.373624 0.727647 ] [ 0.677128 0.122039 0.069181 ] [ 0.822872 0.622039 0.430819 ] [ 0.322872 0.877961 0.930819 ] [ 0.177128 0.377961 0.569181 ] ] } "species" { "source-value" [ "Pa" "Pa" "Pa" "Pa" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.25292040584 "source-unit" "angstrom" } "b" { "source-value" 12.10646034 "source-unit" "angstrom" } "c" { "source-value" 9.6666395551 "source-unit" "angstrom" } "beta" { "source-value" 90.5379430632 "source-unit" "degree" } }