{ "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" [ [ 0.091154 0.358346 0.111477 ] [ 0.408846 0.858346 0.388523 ] [ 0.591154 0.141654 0.611477 ] [ 0.908846 0.641654 0.888523 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.535163 0.192878 0.198391 ] [ 0.964837 0.692878 0.301609 ] [ 0.464837 0.807122 0.801609 ] [ 0.035163 0.307122 0.698391 ] [ 0.443987 0.3611 0.254589 ] [ 0.056013 0.8611 0.245411 ] [ 0.556013 0.6389 0.745411 ] [ 0.943987 0.1389 0.754589 ] [ 0.542177 0.078876 0.357582 ] [ 0.957823 0.578876 0.142418 ] [ 0.457823 0.921124 0.642418 ] [ 0.042177 0.421124 0.857582 ] [ 0.812058 0.19378 0.128828 ] [ 0.687942 0.69378 0.371172 ] [ 0.825208 0.360007 0.554462 ] [ 0.674792 0.860007 0.945538 ] [ 0.174792 0.639993 0.445538 ] [ 0.187942 0.80622 0.871172 ] [ 0.312058 0.30622 0.628828 ] [ 0.325208 0.139993 0.054462 ] ] } "species" { "source-value" [ "Co" "Co" "Co" "Co" "Co" "Co" "P" "P" "P" "P" "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" 5.09789050744 "source-unit" "angstrom" } "b" { "source-value" 8.44241748 "source-unit" "angstrom" } "c" { "source-value" 7.72103410031 "source-unit" "angstrom" } "beta" { "source-value" 94.4911395236 "source-unit" "degree" } }