{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmn2_1" } "basis-atom-coordinates" { "source-value" [ [ 0 0.061131 0.000201 ] [ 0.5 0.938869 0.500201 ] [ 0 0.441002 0.778757 ] [ 0.5 0.558998 0.278757 ] [ 0 0.079997 0.308866 ] [ 0.5 0.920003 0.808866 ] [ 0 0.192806 0.567236 ] [ 0.5 0.807194 0.067236 ] [ 0 0.400476 0.078353 ] [ 0.5 0.599524 0.578353 ] [ 0 0.440714 0.475547 ] [ 0.5 0.559286 0.975547 ] [ 0 0.755401 0.899503 ] [ 0.5 0.244599 0.399503 ] [ 0 0.777458 0.667406 ] [ 0.5 0.222542 0.167406 ] [ 0 0.814709 0.264332 ] [ 0.5 0.185291 0.764332 ] [ 0 0.025875 0.718402 ] [ 0.5 0.974125 0.218402 ] [ 0 0.316767 0.283397 ] [ 0.5 0.683233 0.783397 ] [ 0 0.655385 0.088082 ] [ 0.5 0.344615 0.588082 ] [ 0 0.689078 0.465225 ] [ 0.5 0.310922 0.965225 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "P" "P" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.75905942 "source-unit" "angstrom" } "b" { "source-value" 9.14972553 "source-unit" "angstrom" } "c" { "source-value" 10.35275229 "source-unit" "angstrom" } }