{ "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" [ [ 0.029722 0.166612 0.616445 ] [ 0.002593 0.847783 0.364151 ] [ 0.003213 0.149954 0.113274 ] [ 0.038383 0.862356 0.864384 ] [ 0.50089 0.345128 0.884015 ] [ 0.507355 0.344994 0.387382 ] [ 0.511529 0.647666 0.138893 ] [ 0.494726 0.638502 0.632047 ] [ 0.22048 0.112162 0.452503 ] [ 0.225782 0.114914 0.952416 ] [ 0.216335 0.882166 0.201204 ] [ 0.235967 0.893054 0.702142 ] [ 0.285588 0.404155 0.727692 ] [ 0.719636 0.376977 0.045624 ] [ 0.718305 0.61455 0.298206 ] [ 0.726814 0.383345 0.545386 ] [ 0.255337 0.376051 0.229066 ] [ 0.239465 0.609592 0.467779 ] [ 0.269934 0.619735 0.979096 ] [ 0.759007 0.620892 0.803753 ] [ 0.751423 0.114101 0.271222 ] [ 0.764539 0.875932 0.016401 ] [ 0.772731 0.128986 0.774706 ] [ 0.750243 0.870391 0.532217 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "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" 4.59094891 "source-unit" "angstrom" } "b" { "source-value" 5.71134734 "source-unit" "angstrom" } "c" { "source-value" 10.36108018 "source-unit" "angstrom" } "alpha" { "source-value" 89.8494299 "source-unit" "degree" } "beta" { "source-value" 89.38437136 "source-unit" "degree" } "gamma" { "source-value" 89.78635465 "source-unit" "degree" } }