{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.25 0.5 ] [ 0.25 0.75 0.5 ] [ 0 0.5 0.5 ] [ 0.75 0.75 0.5 ] [ 0.75 0.25 0.5 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0 0.5 0 ] [ 0.75 0.25 0 ] [ 0.75 0.75 0 ] [ 0.5 0 0 ] [ 0.25 0.75 0 ] [ 0.25 0.25 0 ] [ 0.998467 0.264622 0.224372 ] [ 0.998467 0.735378 0.224372 ] [ 0.233399 0 0.235657 ] [ 0.22033 0.5 0.206488 ] [ 0.77967 0.5 0.793512 ] [ 0.766601 0 0.764343 ] [ 0.001533 0.264622 0.775628 ] [ 0.001533 0.735378 0.775628 ] [ 0.498467 0.764622 0.224372 ] [ 0.498467 0.235378 0.224372 ] [ 0.733399 0.5 0.235657 ] [ 0.72033 0 0.206488 ] [ 0.27967 0 0.793512 ] [ 0.266601 0.5 0.764343 ] [ 0.501533 0.764622 0.775628 ] [ 0.501533 0.235378 0.775628 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Nb" "Nb" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "O" "O" "O" "O" "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" 10.36589282 "source-unit" "angstrom" } "b" { "source-value" 5.87267158 "source-unit" "angstrom" } "c" { "source-value" 5.87906159 "source-unit" "angstrom" } "beta" { "source-value" 123.95428422 "source-unit" "degree" } }