{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.284107 0.650824 0.052915 ] [ 0.715893 0.150824 0.447085 ] [ 0.715893 0.349176 0.947085 ] [ 0.284107 0.849176 0.552915 ] [ 0.236361 0.129278 0.982547 ] [ 0.236361 0.370722 0.482547 ] [ 0.763639 0.870722 0.017453 ] [ 0.763639 0.629278 0.517453 ] [ 0.995703 0.335589 0.666352 ] [ 0.45538 0.389409 0.265184 ] [ 0.004297 0.835589 0.833648 ] [ 0.004297 0.664411 0.333648 ] [ 0.54462 0.610591 0.734816 ] [ 0.54462 0.889409 0.234816 ] [ 0.45538 0.110591 0.765184 ] [ 0.995703 0.164411 0.166352 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Er" "Er" "Er" "Er" "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" 6.13916320207 "source-unit" "angstrom" } "b" { "source-value" 6.16562453 "source-unit" "angstrom" } "c" { "source-value" 6.2026241345 "source-unit" "angstrom" } "beta" { "source-value" 119.109336115 "source-unit" "degree" } }