{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.838645 0.561522 0.225367 ] [ 0.154515 0.460884 0.770597 ] [ 0.339938 0.041605 0.720833 ] [ 0.810824 0.828824 0.574628 ] [ 0.677338 0.690784 0.929377 ] [ 0.329359 0.320936 0.078233 ] [ 0.178441 0.161726 0.408872 ] [ 0.175804 0.832037 0.087642 ] [ 0.324656 0.655586 0.408037 ] [ 0.674111 0.337309 0.601689 ] [ 0.83027 0.172365 0.903616 ] [ 0.921602 0.818001 0.116255 ] [ 0.681086 0.986049 0.816752 ] [ 0.204627 0.835705 0.517051 ] [ 0.583185 0.650005 0.390745 ] [ 0.173084 0.480032 0.311801 ] [ 0.708168 0.353938 0.008865 ] [ 0.29685 0.654184 0.976405 ] [ 0.811161 0.537181 0.68332 ] [ 0.415975 0.318615 0.618384 ] [ 0.819448 0.153244 0.518236 ] [ 0.316341 0.018574 0.175014 ] [ 0.08594 0.179743 0.875643 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "B" "B" "B" "B" "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" 5.26504384 "source-unit" "angstrom" } "b" { "source-value" 5.8912372 "source-unit" "angstrom" } "c" { "source-value" 8.25708812 "source-unit" "angstrom" } "alpha" { "source-value" 101.9011809 "source-unit" "degree" } "beta" { "source-value" 90.9119212 "source-unit" "degree" } "gamma" { "source-value" 90.1557804 "source-unit" "degree" } }