{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0.868982 0.872333 0.755173 ] [ 0.131018 0.872333 0.244827 ] [ 0.368982 0.372333 0.755173 ] [ 0.631018 0.372333 0.244827 ] [ 0.953293 0.700379 0.330757 ] [ 0.720431 0.848774 0.339279 ] [ 0.794086 0.634972 0.622914 ] [ 0.7547 0.586241 0.246622 ] [ 0.542374 0.712212 0.162966 ] [ 0.957626 0.212212 0.837034 ] [ 0.144608 0.018685 0.925949 ] [ 0.279569 0.848774 0.660721 ] [ 0.855392 0.018685 0.074051 ] [ 0.705914 0.134972 0.377086 ] [ 0.7453 0.086241 0.753378 ] [ 0.046707 0.700379 0.669243 ] [ 0.453293 0.200379 0.330757 ] [ 0.220431 0.348774 0.339279 ] [ 0.294086 0.134972 0.622914 ] [ 0.2547 0.086241 0.246622 ] [ 0.042374 0.212212 0.162966 ] [ 0.457626 0.712212 0.837034 ] [ 0.644608 0.518685 0.925949 ] [ 0.779569 0.348774 0.660721 ] [ 0.355392 0.518685 0.074051 ] [ 0.205914 0.634972 0.377086 ] [ 0.2453 0.586241 0.753378 ] [ 0.546707 0.200379 0.669243 ] [ 0.716779 0.96414 0.934275 ] [ 0.621203 0.04946 0.568718 ] [ 0.818979 0.750101 0.172802 ] [ 0.908657 0.660523 0.816055 ] [ 0.708803 0.790796 0.58231 ] [ 0.560602 0.877509 0.246704 ] [ 0.878797 0.54946 0.431282 ] [ 0.627224 0.698454 0.930811 ] [ 0.439398 0.877509 0.753296 ] [ 0.783221 0.46414 0.065725 ] [ 0.173236 0.999677 0.670612 ] [ 0.088652 0.08425 0.331212 ] [ 0.791197 0.290796 0.41769 ] [ 0.872776 0.198454 0.069189 ] [ 0.911348 0.08425 0.668788 ] [ 0.181021 0.750101 0.827198 ] [ 0 0.919654 0 ] [ 0 0.828643 0.5 ] [ 0.826764 0.999677 0.329388 ] [ 0.091343 0.660523 0.183945 ] [ 0.216779 0.46414 0.934275 ] [ 0.121203 0.54946 0.568718 ] [ 0.318979 0.250101 0.172802 ] [ 0.408657 0.160523 0.816055 ] [ 0.208803 0.290796 0.58231 ] [ 0.060602 0.377509 0.246704 ] [ 0.378797 0.04946 0.431282 ] [ 0.127224 0.198454 0.930811 ] [ 0.939398 0.377509 0.753296 ] [ 0.283221 0.96414 0.065725 ] [ 0.673236 0.499677 0.670612 ] [ 0.588652 0.58425 0.331212 ] [ 0.291197 0.790796 0.41769 ] [ 0.372776 0.698454 0.069189 ] [ 0.411348 0.58425 0.668788 ] [ 0.681021 0.250101 0.827198 ] [ 0.5 0.419654 0 ] [ 0.5 0.328643 0.5 ] [ 0.326764 0.499677 0.329388 ] [ 0.591343 0.160523 0.183945 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 14.91307959 "source-unit" "angstrom" } "b" { "source-value" 14.7008491 "source-unit" "angstrom" } "c" { "source-value" 10.4256657 "source-unit" "angstrom" } "beta" { "source-value" 90.07152574 "source-unit" "degree" } }