{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm2_1n" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.949281 0.169168 ] [ 0 0.449281 0.830832 ] [ 0.5 0.524044 0.669183 ] [ 0 0.024044 0.330817 ] [ 0.5 0.283333 0.371699 ] [ 0 0.688511 0.127956 ] [ 0.5 0.767247 0.429282 ] [ 0 0.220188 0.082836 ] [ 0 0.783333 0.628301 ] [ 0.5 0.720188 0.917164 ] [ 0 0.267247 0.570718 ] [ 0.5 0.188511 0.872044 ] [ 0.751146 0.403363 0.955084 ] [ 0.246721 0.0738 0.456001 ] [ 0.253279 0.5738 0.543999 ] [ 0.746721 0.5738 0.543999 ] [ 0 0.681865 0.850855 ] [ 0.748854 0.903363 0.044916 ] [ 0.248854 0.403363 0.955084 ] [ 0.251146 0.903363 0.044916 ] [ 0.5 0.181865 0.149145 ] [ 0.5 0.292622 0.648263 ] [ 0.753279 0.0738 0.456001 ] [ 0 0.792622 0.351737 ] [ 0 0.085181 0.791142 ] [ 0.5 0.585181 0.208858 ] [ 0.5 0.871712 0.716708 ] [ 0 0.371712 0.283292 ] ] } "species" { "source-value" [ "As" "As" "As" "As" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "I" "I" "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" 6.79900492 "source-unit" "angstrom" } "b" { "source-value" 9.7172659 "source-unit" "angstrom" } "c" { "source-value" 11.77591459 "source-unit" "angstrom" } }