{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.248865 0.984752 0.781269 ] [ 0.748865 0.515248 0.218731 ] [ 0.751135 0.484752 0.718731 ] [ 0.251135 0.015248 0.281269 ] [ 0.185921 0.98825 0.535912 ] [ 0.685921 0.51175 0.464088 ] [ 0.814079 0.48825 0.964088 ] [ 0.314079 0.01175 0.035912 ] [ 0.10585 0.900574 0.040018 ] [ 0.60585 0.599426 0.959982 ] [ 0.89415 0.400574 0.459982 ] [ 0.39415 0.099426 0.540018 ] [ 0.438594 0.091564 0.128947 ] [ 0.938594 0.408436 0.871053 ] [ 0.561406 0.591564 0.371053 ] [ 0.061406 0.908436 0.628947 ] [ 0.448235 0.071389 0.943657 ] [ 0.948235 0.428611 0.056343 ] [ 0.551765 0.571389 0.556343 ] [ 0.051765 0.928611 0.443657 ] ] } "species" { "source-value" [ "Br" "Br" "Br" "Br" "N" "N" "N" "N" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.31504918 "source-unit" "angstrom" } "b" { "source-value" 7.28894839 "source-unit" "angstrom" } "c" { "source-value" 11.58025181 "source-unit" "angstrom" } }