{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.334474 0.874948 0.595318 ] [ 0.665526 0.125052 0.404682 ] [ 0.165526 0.374948 0.404682 ] [ 0.834474 0.625052 0.595318 ] [ 0.014092 0.175916 0.727811 ] [ 0.985908 0.824084 0.272189 ] [ 0.514092 0.324084 0.727811 ] [ 0.485908 0.675916 0.272189 ] [ 0.151789 0.661691 0.860254 ] [ 0.651789 0.838309 0.860254 ] [ 0.848211 0.338309 0.139746 ] [ 0.348211 0.161691 0.139746 ] [ 0.622575 0.493433 0.39436 ] [ 0.973608 0.349916 0.565676 ] [ 0.526392 0.849916 0.434324 ] [ 0.7635 0.883013 0.290375 ] [ 0.877425 0.993433 0.60564 ] [ 0.026392 0.650084 0.434324 ] [ 0.122575 0.006567 0.39436 ] [ 0.7365 0.383013 0.709625 ] [ 0.473608 0.150084 0.565676 ] [ 0.377425 0.506567 0.60564 ] [ 0.2365 0.116987 0.709625 ] [ 0.2635 0.616987 0.290375 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Te" "Te" "Te" "Te" "I" "I" "I" "I" "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" 8.14035561911 "source-unit" "angstrom" } "b" { "source-value" 7.17410791 "source-unit" "angstrom" } "c" { "source-value" 9.58857981224 "source-unit" "angstrom" } "beta" { "source-value" 105.984986354 "source-unit" "degree" } }