{ "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" [ [ 0.313198 0.695231 0.216281 ] [ 0.686802 0.195231 0.783719 ] [ 0.845519 0.189878 0.30841 ] [ 0.154481 0.689878 0.69159 ] [ 0.010122 0.200264 0.167356 ] [ 0.989878 0.700264 0.832644 ] [ 0.83702 0.558027 0.293536 ] [ 0.16298 0.058027 0.706464 ] [ 0.358764 0.720187 0.585869 ] [ 0.641236 0.220187 0.414131 ] [ 0.385584 0.633613 0.878476 ] [ 0.614416 0.133613 0.121524 ] ] } "species" { "source-value" [ "Cs" "Cs" "As" "As" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.76546780799 "source-unit" "angstrom" } "b" { "source-value" 4.90811709 "source-unit" "angstrom" } "c" { "source-value" 8.76530536799 "source-unit" "angstrom" } "beta" { "source-value" 112.583440851 "source-unit" "degree" } }