{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.494908 0.662016 0.832469 ] [ 0.5 0 0.5 ] [ 0.505092 0.337984 0.167531 ] [ 0 0.5 0.5 ] [ 0.979513 0.830318 0.151244 ] [ 0.020487 0.169682 0.848756 ] [ 0.798955 0.543577 0.263215 ] [ 0.805527 0.874998 0.932673 ] [ 0.693212 0.368271 0.935958 ] [ 0.687141 0.696984 0.600796 ] [ 0.705144 0.045583 0.269193 ] [ 0.312859 0.303016 0.399204 ] [ 0.306788 0.631729 0.064042 ] [ 0.294856 0.954417 0.730807 ] [ 0.194473 0.125002 0.067327 ] [ 0.201045 0.456423 0.736785 ] [ 0.816876 0.193384 0.620026 ] [ 0.183124 0.806616 0.379974 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "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" 4.55773324 "source-unit" "angstrom" } "b" { "source-value" 5.44883258 "source-unit" "angstrom" } "c" { "source-value" 7.5348247 "source-unit" "angstrom" } "alpha" { "source-value" 86.29191901 "source-unit" "degree" } "beta" { "source-value" 88.59192737 "source-unit" "degree" } "gamma" { "source-value" 87.89712004 "source-unit" "degree" } }