{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccm2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.685199 0 0.691527 ] [ 0.314801 0 0.191527 ] [ 0.185199 0.5 0.691527 ] [ 0.814801 0.5 0.191527 ] [ 0.781378 0.830902 0.246137 ] [ 0.218622 0.169098 0.746137 ] [ 0.218622 0.830902 0.746137 ] [ 0.781378 0.169098 0.246137 ] [ 0.281378 0.330902 0.246137 ] [ 0.718622 0.669098 0.746137 ] [ 0.718622 0.330902 0.746137 ] [ 0.281378 0.669098 0.246137 ] [ 0.512586 0.750649 0.470051 ] [ 0.487414 0.249351 0.970051 ] [ 0.487414 0.750649 0.970051 ] [ 0.512586 0.249351 0.470051 ] [ 0.831534 0.904221 0.640234 ] [ 0.168466 0.095779 0.140234 ] [ 0.414043 0 0.507059 ] [ 0.585957 0 0.007059 ] [ 0.831534 0.095779 0.640234 ] [ 0.168466 0.904221 0.140234 ] [ 0.012586 0.250649 0.470051 ] [ 0.987414 0.749351 0.970051 ] [ 0.987414 0.250649 0.970051 ] [ 0.012586 0.749351 0.470051 ] [ 0.331534 0.404221 0.640234 ] [ 0.668466 0.595779 0.140234 ] [ 0.914043 0.5 0.507059 ] [ 0.085957 0.5 0.007059 ] [ 0.331534 0.595779 0.640234 ] [ 0.668466 0.404221 0.140234 ] ] } "species" { "source-value" [ "Ge" "Ge" "Ge" "Ge" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.60987658554 "source-unit" "angstrom" } "b" { "source-value" 15.853392279 "source-unit" "angstrom" } "c" { "source-value" 5.48159945 "source-unit" "angstrom" } }