{ "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" [ [ 0.347642 0.339657 0.924458 ] [ 0.942035 0.619818 0.843552 ] [ 0.381459 0.821468 0.805323 ] [ 0.618541 0.321468 0.694677 ] [ 0.057965 0.119818 0.656448 ] [ 0.652358 0.839657 0.575542 ] [ 0.347642 0.160343 0.424458 ] [ 0.942035 0.880182 0.343552 ] [ 0.381459 0.678532 0.305323 ] [ 0.618541 0.178532 0.194677 ] [ 0.057965 0.380182 0.156448 ] [ 0.652358 0.660343 0.075542 ] [ 0.834708 0.090113 0.929674 ] [ 0.165292 0.590113 0.570326 ] [ 0.834708 0.409887 0.429674 ] [ 0.165292 0.909887 0.070326 ] [ 0.748867 0.35573 0.956687 ] [ 0.103429 0.052607 0.906457 ] [ 0.693457 0.942102 0.803793 ] [ 0.306543 0.442102 0.696207 ] [ 0.896571 0.552607 0.593543 ] [ 0.251133 0.85573 0.543313 ] [ 0.748867 0.14427 0.456687 ] [ 0.103429 0.447393 0.406457 ] [ 0.693457 0.557898 0.303793 ] [ 0.306543 0.057898 0.196207 ] [ 0.896571 0.947393 0.093543 ] [ 0.251133 0.64427 0.043313 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "La" "La" "La" "La" "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" 8.63981022 "source-unit" "angstrom" } "b" { "source-value" 7.82800258 "source-unit" "angstrom" } "c" { "source-value" 12.47856551 "source-unit" "angstrom" } "beta" { "source-value" 94.6196171 "source-unit" "degree" } }