{ "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" [ [ 0.35324 0.862612 0.626403 ] [ 0.651993 0.621967 0.87729 ] [ 0.168099 0.863467 0.11978 ] [ 0.129412 0.389334 0.630103 ] [ 0.857933 0.124289 0.861959 ] [ 0.851666 0.627992 0.370793 ] [ 0.648973 0.126104 0.375799 ] [ 0.35572 0.371656 0.125878 ] [ 0.11788 0.919615 0.842808 ] [ 0.613025 0.905932 0.828417 ] [ 0.38784 0.590192 0.670931 ] [ 0.610301 0.84521 0.428831 ] [ 0.613477 0.341038 0.921804 ] [ 0.884591 0.582916 0.654522 ] [ 0.108153 0.330946 0.905793 ] [ 0.11464 0.829994 0.404253 ] [ 0.887088 0.175386 0.594383 ] [ 0.105889 0.423746 0.346473 ] [ 0.887616 0.676581 0.094588 ] [ 0.39546 0.650196 0.074848 ] [ 0.609996 0.408719 0.329517 ] [ 0.386198 0.092011 0.177478 ] [ 0.366098 0.160951 0.592196 ] [ 0.894715 0.079146 0.145152 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.49795136 "source-unit" "angstrom" } "b" { "source-value" 6.65606647 "source-unit" "angstrom" } "c" { "source-value" 6.70555708 "source-unit" "angstrom" } "alpha" { "source-value" 96.04333666 "source-unit" "degree" } "beta" { "source-value" 91.1294131 "source-unit" "degree" } "gamma" { "source-value" 90.66789932 "source-unit" "degree" } }