{ "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" [ [ 0.466225 0.767068 0.664163 ] [ 0.96724 0.24615 0.886441 ] [ 0.03276 0.75385 0.113559 ] [ 0.533775 0.267068 0.835837 ] [ 0.466225 0.732932 0.164163 ] [ 0.03276 0.74615 0.613559 ] [ 0.96724 0.25385 0.386441 ] [ 0.533775 0.232932 0.335837 ] [ 0.265725 0.728103 0.862577 ] [ 0.734275 0.271897 0.137423 ] [ 0.734275 0.228103 0.637423 ] [ 0.265725 0.771897 0.362577 ] [ 0.314844 0.293133 0.527651 ] [ 0.824457 0.739564 0.801802 ] [ 0.685156 0.706867 0.472349 ] [ 0.175543 0.260436 0.198198 ] [ 0.824457 0.760436 0.301802 ] [ 0.175543 0.239564 0.698198 ] [ 0.314844 0.206867 0.027651 ] [ 0.685156 0.793133 0.972349 ] [ 0.273406 0.011358 0.750597 ] [ 0.273406 0.488642 0.250597 ] [ 0.525178 0.752047 0.38752 ] [ 0.525178 0.747953 0.88752 ] [ 0.275419 0.570189 0.500833 ] [ 0.006718 0.734187 0.805575 ] [ 0.715244 0.86983 0.569239 ] [ 0.724581 0.070189 0.999167 ] [ 0.163233 0.199438 0.574426 ] [ 0.726594 0.988642 0.249403 ] [ 0.738605 0.992251 0.771417 ] [ 0.724581 0.429811 0.499167 ] [ 0.261395 0.007749 0.228583 ] [ 0.474822 0.252047 0.11248 ] [ 0.284756 0.13017 0.430761 ] [ 0.006718 0.765813 0.305575 ] [ 0.275419 0.929811 0.000833 ] [ 0.726594 0.511358 0.749403 ] [ 0.738605 0.507749 0.271417 ] [ 0.261395 0.492251 0.728583 ] [ 0.993282 0.234187 0.694425 ] [ 0.993282 0.265813 0.194425 ] [ 0.836767 0.800562 0.425574 ] [ 0.715244 0.63017 0.069239 ] [ 0.836767 0.699438 0.925574 ] [ 0.163233 0.300562 0.074426 ] [ 0.284756 0.36983 0.930761 ] [ 0.474822 0.247953 0.61248 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Ca" "Ca" "Ca" "Ca" "As" "As" "As" "As" "As" "As" "As" "As" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 9.37101149185 "source-unit" "angstrom" } "b" { "source-value" 5.93170982 "source-unit" "angstrom" } "c" { "source-value" 14.9190409664 "source-unit" "angstrom" } "beta" { "source-value" 105.936054016 "source-unit" "degree" } }