{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.872057 0.75 ] [ 0.5 0.627943 0.25 ] [ 0.5 0.372057 0.75 ] [ 0 0.127943 0.25 ] [ 0.5 0.890773 0.75 ] [ 0 0.609227 0.25 ] [ 0 0.390773 0.75 ] [ 0.5 0.109227 0.25 ] [ 0.751769 0.967605 0.205799 ] [ 0.248231 0.967605 0.294201 ] [ 0.748231 0.532395 0.794201 ] [ 0.251769 0.532395 0.705799 ] [ 0.337234 0.788637 0.839976 ] [ 0.662766 0.788637 0.660024 ] [ 0.162766 0.711363 0.160024 ] [ 0.837234 0.711363 0.339976 ] [ 0.251769 0.467605 0.205799 ] [ 0.748231 0.467605 0.294201 ] [ 0.248231 0.032395 0.794201 ] [ 0.751769 0.032395 0.705799 ] [ 0.837234 0.288637 0.839976 ] [ 0.162766 0.288637 0.660024 ] [ 0.662766 0.211363 0.160024 ] [ 0.337234 0.211363 0.339976 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Er" "Nb" "Nb" "Nb" "Nb" "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" 7.12366635262 "source-unit" "angstrom" } "b" { "source-value" 11.0320591043 "source-unit" "angstrom" } "c" { "source-value" 5.13049559967 "source-unit" "angstrom" } "beta" { "source-value" 132.081957157 "source-unit" "degree" } }