{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.774773 0.001453 0.225868 ] [ 0.225227 0.998547 0.774132 ] [ 0.225227 0.501453 0.774132 ] [ 0.774773 0.498547 0.225868 ] [ 0.790671 0.75 0.656378 ] [ 0.209329 0.25 0.343622 ] [ 0.722438 0.25 0.580699 ] [ 0.277562 0.75 0.419301 ] [ 0.726997 0.75 0.941506 ] [ 0.273003 0.25 0.058494 ] [ 0.174749 0.941925 0.323762 ] [ 0.961805 0.75 0.880417 ] [ 0.473906 0.25 0.167864 ] [ 0.526094 0.75 0.832136 ] [ 0.174749 0.558075 0.323762 ] [ 0.16733 0.75 0.587153 ] [ 0.038195 0.25 0.119583 ] [ 0.825251 0.441925 0.676238 ] [ 0.825251 0.058075 0.676238 ] [ 0.41184 0.25 0.558188 ] [ 0.696081 0.75 0.087642 ] [ 0.303919 0.25 0.912358 ] [ 0.58816 0.75 0.441812 ] [ 0.83267 0.25 0.412847 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cr" "Cr" "P" "P" "C" "C" "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" 5.02315886916 "source-unit" "angstrom" } "b" { "source-value" 6.39042739 "source-unit" "angstrom" } "c" { "source-value" 8.47905883321 "source-unit" "angstrom" } "beta" { "source-value" 93.6283980895 "source-unit" "degree" } }