{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0 ] [ 0.829579 0 0.660993 ] [ 0.670421 0.5 0.339007 ] [ 0.5 0 0 ] [ 0.329579 0.5 0.660993 ] [ 0.170421 0 0.339007 ] [ 0.83078 0 0.171658 ] [ 0.66922 0.5 0.828342 ] [ 0.33078 0.5 0.171658 ] [ 0.16922 0 0.828342 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.837817 0.5 0.413209 ] [ 0.673516 0 0.078695 ] [ 0.662183 0 0.586791 ] [ 0.010309 0 0.733457 ] [ 0.989691 0 0.266543 ] [ 0.826484 0.5 0.921305 ] [ 0.337817 0 0.413209 ] [ 0.173516 0.5 0.078695 ] [ 0.162183 0.5 0.586791 ] [ 0.510309 0.5 0.733457 ] [ 0.489691 0.5 0.266543 ] [ 0.326484 0 0.921305 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Cr" "Cr" "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" 12.70883909 "source-unit" "angstrom" } "b" { "source-value" 3.04411947 "source-unit" "angstrom" } "c" { "source-value" 6.04400378 "source-unit" "angstrom" } "beta" { "source-value" 104.20937614 "source-unit" "degree" } }