{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.006032 0.535205 0.878538 ] [ 0.993968 0.035205 0.121462 ] [ 0.518053 0.967388 0.614116 ] [ 0.481947 0.467388 0.385884 ] [ 0.827418 0.529958 0.31973 ] [ 0.172582 0.029958 0.68027 ] [ 0.372696 0.564995 0.223243 ] [ 0.627304 0.064995 0.776757 ] [ 0.0787 0.167308 0.954492 ] [ 0.9213 0.667308 0.045508 ] [ 0.472364 0.598462 0.671685 ] [ 0.527636 0.098462 0.328315 ] [ 0.935938 0.498471 0.572564 ] [ 0.064062 0.998471 0.427436 ] [ 0.360859 0.584724 0.927377 ] [ 0.639141 0.084724 0.072623 ] [ 0.974615 0.908781 0.826181 ] [ 0.025385 0.408781 0.173819 ] [ 0.43834 0.983429 0.927393 ] [ 0.56166 0.483429 0.072607 ] [ 0.874979 0.893671 0.573608 ] [ 0.125021 0.393671 0.426392 ] [ 0.346714 0.958695 0.179656 ] [ 0.653286 0.458695 0.820344 ] [ 0.868904 0.924876 0.279824 ] [ 0.131096 0.424876 0.720176 ] [ 0.58524 0.337137 0.549072 ] [ 0.41476 0.837137 0.450928 ] ] } "species" { "source-value" [ "Co" "Co" "Co" "Co" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.92612991285 "source-unit" "angstrom" } "b" { "source-value" 5.72458154 "source-unit" "angstrom" } "c" { "source-value" 12.7989146028 "source-unit" "angstrom" } "beta" { "source-value" 90.1078033808 "source-unit" "degree" } }