{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnm" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.263561 0.315773 ] [ 0.25 0.600856 0.029255 ] [ 0.75 0.546061 0.75 ] [ 0.25 0.736439 0.815773 ] [ 0.75 0.399144 0.529255 ] [ 0.25 0.600856 0.470745 ] [ 0.25 0.453939 0.25 ] [ 0.75 0.529835 0.135909 ] [ 0.75 0.399144 0.970745 ] [ 0.25 0.470165 0.635909 ] [ 0.75 0.529835 0.364091 ] [ 0.25 0.470165 0.864091 ] [ 0.75 0.673902 0.578729 ] [ 0.75 0.673902 0.921271 ] [ 0.75 0.263561 0.184227 ] [ 0.25 0.736439 0.684227 ] [ 0.25 0.326098 0.421271 ] [ 0.25 0.326098 0.078729 ] [ 0.75 0.463519 0.444832 ] [ 0.25 0.536481 0.555168 ] [ 0.25 0.39011 0.338175 ] [ 0.25 0.39011 0.161825 ] [ 0.75 0.60989 0.661825 ] [ 0.75 0.463519 0.055168 ] [ 0.75 0.60989 0.838175 ] [ 0.25 0.536481 0.944832 ] [ 0.25 0.897037 0.602773 ] [ 0.25 0.740022 0.126932 ] [ 0.25 0.186678 0.988033 ] [ 0.25 0.740022 0.373068 ] [ 0.75 0.259978 0.626932 ] [ 0.75 0.813322 0.011967 ] [ 0.25 0.334382 0.75 ] [ 0.25 0.897037 0.897227 ] [ 0.75 0.813322 0.488033 ] [ 0.75 0.259978 0.873068 ] [ 0.75 0.102963 0.397227 ] [ 0.75 0.102963 0.102773 ] [ 0.25 0.186678 0.511967 ] [ 0.75 0.665618 0.25 ] [ 0.25 0.093241 0.25 ] [ 0.75 0.906759 0.75 ] [ 0.75 0.356661 0.25 ] [ 0.25 0.643339 0.75 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "C" "C" "C" "C" "C" "C" "C" "C" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "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" 3.86181084 "source-unit" "angstrom" } "b" { "source-value" 11.3669938 "source-unit" "angstrom" } "c" { "source-value" 29.16767856 "source-unit" "angstrom" } }