{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.353839 0.75 0.216064 ] [ 0.853839 0.75 0.283936 ] [ 0.646161 0.25 0.783936 ] [ 0.146161 0.25 0.716064 ] [ 0.692082 0.564157 0.058987 ] [ 0.192082 0.935843 0.441013 ] [ 0.307918 0.064157 0.941013 ] [ 0.807918 0.435843 0.558987 ] [ 0.307918 0.435843 0.941013 ] [ 0.807918 0.064157 0.558987 ] [ 0.692082 0.935843 0.058987 ] [ 0.192082 0.564157 0.441013 ] [ 0.477115 0.25 0.489064 ] [ 0.977115 0.25 0.010936 ] [ 0.522885 0.75 0.510936 ] [ 0.022885 0.75 0.989064 ] [ 0.314822 0.25 0.21812 ] [ 0.814822 0.25 0.28188 ] [ 0.685178 0.75 0.78188 ] [ 0.185178 0.75 0.71812 ] [ 0.405423 0.75 0.957476 ] [ 0.905423 0.75 0.542524 ] [ 0.594577 0.25 0.042524 ] [ 0.094577 0.25 0.457476 ] [ 0.565828 0.996299 0.325689 ] [ 0.065828 0.503701 0.174311 ] [ 0.434172 0.496299 0.674311 ] [ 0.934172 0.003701 0.825689 ] [ 0.434172 0.003701 0.674311 ] [ 0.934172 0.496299 0.825689 ] [ 0.565828 0.503701 0.325689 ] [ 0.065828 0.996299 0.174311 ] ] } "species" { "source-value" [ "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.22917478 "source-unit" "angstrom" } "b" { "source-value" 9.5115957 "source-unit" "angstrom" } "c" { "source-value" 11.99667633 "source-unit" "angstrom" } }