{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0 ] [ 0.75 0.75 0 ] [ 0.25 0.75 0 ] [ 0.5 0 0 ] [ 0.25 0.25 0 ] [ 0.75 0.25 0 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.978681 0.74637 0.19485 ] [ 0.978681 0.25363 0.19485 ] [ 0.764471 0.5 0.801207 ] [ 0.765488 0 0.810549 ] [ 0.234512 0 0.189451 ] [ 0.235529 0.5 0.198793 ] [ 0.021319 0.74637 0.80515 ] [ 0.021319 0.25363 0.80515 ] [ 0.478681 0.24637 0.19485 ] [ 0.478681 0.75363 0.19485 ] [ 0.264471 0 0.801207 ] [ 0.265488 0.5 0.810549 ] [ 0.734512 0.5 0.189451 ] [ 0.735529 0 0.198793 ] [ 0.521319 0.24637 0.80515 ] [ 0.521319 0.75363 0.80515 ] ] } "species" { "source-value" [ "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Cr" "Cr" "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" 10.14985199 "source-unit" "angstrom" } "b" { "source-value" 5.84104305 "source-unit" "angstrom" } "c" { "source-value" 6.12208211 "source-unit" "angstrom" } "beta" { "source-value" 123.65917947 "source-unit" "degree" } }