{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.103112 0.704803 0.00991 ] [ 0.896888 0.295197 0.99009 ] [ 0.871951 0.735445 0.733218 ] [ 0.766312 0.094257 0.267483 ] [ 0.622188 0.597862 0.217347 ] [ 0.793815 0.329249 0.51264 ] [ 0.206185 0.670751 0.48736 ] [ 0.377812 0.402138 0.782653 ] [ 0.233688 0.905743 0.732517 ] [ 0.128049 0.264555 0.266782 ] [ 0.829504 0.320956 0.311772 ] [ 0.859702 0.307903 0.186939 ] [ 0.170496 0.679044 0.688228 ] [ 0.140298 0.692097 0.813061 ] [ 0.071453 0.347712 0.769365 ] [ 0.210194 0.333577 0.028027 ] [ 0.534703 0.674719 0.450131 ] [ 0.213115 0.960354 0.9658 ] [ 0.928547 0.652288 0.230635 ] [ 0.786885 0.039646 0.0342 ] [ 0.835853 0.940803 0.498322 ] [ 0.504213 0.011969 0.75475 ] [ 0.789806 0.666423 0.971973 ] [ 0.465297 0.325281 0.549869 ] [ 0.151618 0.883498 0.253287 ] [ 0.848382 0.116502 0.746713 ] [ 0.5 0.5 0 ] [ 0.495787 0.988031 0.24525 ] [ 0.164147 0.059197 0.501678 ] [ 0 0.5 0.5 ] [ 0.605994 0.57377 0.72226 ] [ 0.394006 0.42623 0.27774 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "C" "C" "C" "C" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.68597888238 "source-unit" "angstrom" } "b" { "source-value" 8.80159007424 "source-unit" "angstrom" } "c" { "source-value" 11.9074889181 "source-unit" "angstrom" } "alpha" { "source-value" 84.5824916981 "source-unit" "degree" } "beta" { "source-value" 83.7780902669 "source-unit" "degree" } "gamma" { "source-value" 60.8969511066 "source-unit" "degree" } }