{ "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 0.887806 0 ] [ 0.5 0.387806 0 ] [ 0.297091 0.035099 0.591218 ] [ 0.702909 0.035099 0.408782 ] [ 0.797091 0.535099 0.591218 ] [ 0.202909 0.535099 0.408782 ] [ 0 0.451999 0.5 ] [ 0.8522 0.710182 0.731548 ] [ 0.130336 0.059285 0.285674 ] [ 0.240106 0.901946 0.811937 ] [ 0.869664 0.059285 0.714326 ] [ 0.759894 0.901946 0.188063 ] [ 0.1478 0.710182 0.268452 ] [ 0.5 0.951999 0.5 ] [ 0.3522 0.210182 0.731548 ] [ 0.630336 0.559285 0.285674 ] [ 0.740106 0.401946 0.811937 ] [ 0.369664 0.559285 0.714326 ] [ 0.259894 0.401946 0.188063 ] [ 0.6478 0.210182 0.268452 ] ] } "species" { "source-value" [ "Mn" "Mn" "P" "P" "P" "P" "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" 6.51923435595 "source-unit" "angstrom" } "b" { "source-value" 7.83096088664 "source-unit" "angstrom" } "c" { "source-value" 4.47005833761 "source-unit" "angstrom" } "beta" { "source-value" 103.091318106 "source-unit" "degree" } }