{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.762334 0.99582 0.225276 ] [ 0.762334 0.50418 0.225276 ] [ 0.237666 0.49582 0.774724 ] [ 0.237666 0.00418 0.774724 ] [ 0.220001 0.25 0.34459 ] [ 0.779999 0.75 0.65541 ] [ 0.272058 0.25 0.081436 ] [ 0.727942 0.75 0.918564 ] [ 0.280433 0.75 0.432651 ] [ 0.719567 0.25 0.567349 ] [ 0.696875 0.75 0.060501 ] [ 0.044046 0.25 0.154303 ] [ 0.463248 0.25 0.194712 ] [ 0.208425 0.941831 0.335028 ] [ 0.208425 0.558169 0.335028 ] [ 0.867534 0.25 0.425103 ] [ 0.568567 0.75 0.469357 ] [ 0.431433 0.25 0.530643 ] [ 0.132466 0.75 0.574897 ] [ 0.791575 0.441831 0.664972 ] [ 0.791575 0.058169 0.664972 ] [ 0.536752 0.75 0.805288 ] [ 0.955954 0.75 0.845697 ] [ 0.303125 0.25 0.939499 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Mn" "Mn" "B" "B" "P" "P" "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" 5.33580132 "source-unit" "angstrom" } "b" { "source-value" 6.39546684 "source-unit" "angstrom" } "c" { "source-value" 9.10274131 "source-unit" "angstrom" } "beta" { "source-value" 92.19009594 "source-unit" "degree" } }