{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cc" } "basis-atom-coordinates" { "source-value" [ [ 0.90921 0.916707 0.996584 ] [ 0.922373 0.248181 0.997962 ] [ 0.90921 0.083293 0.496584 ] [ 0.922373 0.751819 0.497962 ] [ 0.40921 0.416707 0.996584 ] [ 0.422373 0.748181 0.997962 ] [ 0.40921 0.583293 0.496584 ] [ 0.422373 0.251819 0.497962 ] [ 0.928135 0.588965 0.011506 ] [ 0.428135 0.911035 0.511506 ] [ 0.428135 0.088965 0.011506 ] [ 0.928135 0.411035 0.511506 ] [ 0.273475 0.90354 0.108907 ] [ 0.824312 0.083896 0.132665 ] [ 0.824312 0.916104 0.632665 ] [ 0.783035 0.76346 0.135781 ] [ 0.773475 0.59646 0.608907 ] [ 0.783035 0.23654 0.635781 ] [ 0.773475 0.40354 0.108907 ] [ 0.324312 0.583896 0.132665 ] [ 0.324312 0.416104 0.632665 ] [ 0.283035 0.26346 0.135781 ] [ 0.273475 0.09646 0.608907 ] [ 0.283035 0.73654 0.635781 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Sn" "Sn" "Sn" "Sn" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.553206 "source-unit" "angstrom" } "b" { "source-value" 13.06110968 "source-unit" "angstrom" } "c" { "source-value" 7.56374884 "source-unit" "angstrom" } "beta" { "source-value" 109.63198465 "source-unit" "degree" } }