{ "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" [ [ 0.413419 0.56219 0.236444 ] [ 0.586581 0.43781 0.763556 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.252766 0.120414 0.222142 ] [ 0.164199 0.291995 0.708136 ] [ 0.151551 0.878026 0.793511 ] [ 0.848449 0.121974 0.206489 ] [ 0.835801 0.708005 0.291864 ] [ 0.747234 0.879586 0.777858 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0.030928 0.08014 0.284144 ] [ 0.98576 0.382431 0.627837 ] [ 0.232344 0.33313 0.12956 ] [ 0.128229 0.082538 0.828796 ] [ 0.299221 0.077986 0.384148 ] [ 0.172685 0.408571 0.818173 ] [ 0.363188 0.251645 0.596759 ] [ 0.138208 0.721492 0.946846 ] [ 0.383236 0.96979 0.126061 ] [ 0.65572 0.172481 0.322915 ] [ 0.34428 0.827519 0.677085 ] [ 0.616764 0.03021 0.873939 ] [ 0.861792 0.278508 0.053154 ] [ 0.636812 0.748355 0.403241 ] [ 0.827315 0.591429 0.181827 ] [ 0.700779 0.922014 0.615852 ] [ 0.871771 0.917462 0.171204 ] [ 0.767656 0.66687 0.87044 ] [ 0.01424 0.617569 0.372163 ] [ 0.969072 0.91986 0.715856 ] ] } "species" { "source-value" [ "K" "K" "Mn" "Mn" "P" "P" "P" "P" "P" "P" "H" "H" "O" "O" "O" "O" "O" "O" "O" "O" "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" 7.28377712 "source-unit" "angstrom" } "b" { "source-value" 7.40051691 "source-unit" "angstrom" } "c" { "source-value" 9.14018415 "source-unit" "angstrom" } "alpha" { "source-value" 71.56802567 "source-unit" "degree" } "beta" { "source-value" 73.22533273 "source-unit" "degree" } "gamma" { "source-value" 71.33124235 "source-unit" "degree" } }