{ "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" [ [ 0.43837 0.13437 0.249742 ] [ 0.06163 0.63437 0.250258 ] [ 0.56163 0.86563 0.750258 ] [ 0.93837 0.36563 0.749742 ] [ 0.63465 0.475559 0.350434 ] [ 0.86535 0.975559 0.149566 ] [ 0.36535 0.524441 0.649566 ] [ 0.13465 0.024441 0.850434 ] [ 0.93327 0.28865 0.346855 ] [ 0.56673 0.78865 0.153145 ] [ 0.06673 0.71135 0.653145 ] [ 0.43327 0.21135 0.846855 ] [ 0.295631 0.881455 0.386623 ] [ 0.204369 0.381455 0.113377 ] [ 0.704369 0.118545 0.613377 ] [ 0.795631 0.618545 0.886623 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.65356651332 "source-unit" "angstrom" } "b" { "source-value" 5.2323373 "source-unit" "angstrom" } "c" { "source-value" 12.3442449157 "source-unit" "angstrom" } "beta" { "source-value" 104.029777642 "source-unit" "degree" } }