{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.671516 0.999898 0.14692 ] [ 0.328484 0.000102 0.85308 ] [ 0.171516 0.000102 0.35308 ] [ 0.171516 0.499898 0.35308 ] [ 0.828484 0.500102 0.64692 ] [ 0.671516 0.500102 0.14692 ] [ 0.328484 0.499898 0.85308 ] [ 0.828484 0.999898 0.64692 ] [ 0.809616 0.75 0.88629 ] [ 0.190384 0.25 0.11371 ] [ 0.309616 0.25 0.61371 ] [ 0.690384 0.75 0.38629 ] [ 0.974858 0.75 0.977574 ] [ 0.525142 0.75 0.477574 ] [ 0.025142 0.25 0.022426 ] [ 0.474858 0.25 0.522426 ] [ 0.585155 0.75 0.749086 ] [ 0.296911 0.017489 0.616643 ] [ 0.955086 0.75 0.494135 ] [ 0.455086 0.25 0.005865 ] [ 0.703089 0.517489 0.383357 ] [ 0.938922 0.25 0.228476 ] [ 0.203089 0.482511 0.116643 ] [ 0.085155 0.25 0.750914 ] [ 0.796911 0.982511 0.883357 ] [ 0.703089 0.982511 0.383357 ] [ 0.203089 0.017489 0.116643 ] [ 0.438922 0.75 0.271524 ] [ 0.796911 0.517489 0.883357 ] [ 0.414845 0.25 0.250914 ] [ 0.044914 0.25 0.505865 ] [ 0.914845 0.75 0.249086 ] [ 0.296911 0.482511 0.616643 ] [ 0.061078 0.75 0.771524 ] [ 0.544914 0.75 0.994135 ] [ 0.561078 0.25 0.728476 ] [ 0.913514 0.25 0.966813 ] [ 0.413514 0.75 0.533187 ] [ 0.586486 0.25 0.466813 ] [ 0.086486 0.75 0.033187 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Os" "Os" "Os" "Os" "C" "C" "C" "C" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "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" 7.49103206 "source-unit" "angstrom" } "b" { "source-value" 10.83778644 "source-unit" "angstrom" } "c" { "source-value" 14.76858128 "source-unit" "angstrom" } }