{ "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 0 0 ] [ 0 0.5 0.5 ] [ 0.120435 0.263341 0.870257 ] [ 0.120435 0.236659 0.370257 ] [ 0.879565 0.763341 0.629743 ] [ 0.879565 0.736659 0.129743 ] [ 0.278244 0.121618 0.929632 ] [ 0.185021 0.405052 0.799294 ] [ 0.108936 0.743498 0.605472 ] [ 0.891064 0.243498 0.894528 ] [ 0.814979 0.905052 0.700706 ] [ 0.721756 0.621618 0.570368 ] [ 0.278244 0.378382 0.429632 ] [ 0.185021 0.094948 0.299294 ] [ 0.108936 0.756502 0.105472 ] [ 0.891064 0.256502 0.394528 ] [ 0.814979 0.594948 0.200706 ] [ 0.721756 0.878382 0.070368 ] ] } "species" { "source-value" [ "Co" "Co" "C" "C" "C" "C" "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" 5.33474282 "source-unit" "angstrom" } "b" { "source-value" 7.42197539 "source-unit" "angstrom" } "c" { "source-value" 6.85498574 "source-unit" "angstrom" } "beta" { "source-value" 115.43242395 "source-unit" "degree" } }