{ "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" [ [ 0.772579 0.481458 0.19563 ] [ 0.772579 0.018542 0.19563 ] [ 0.227421 0.518542 0.80437 ] [ 0.227421 0.981458 0.80437 ] [ 0.211789 0.25 0.325037 ] [ 0.788211 0.75 0.674963 ] [ 0.268318 0.25 0.053747 ] [ 0.731682 0.75 0.946253 ] [ 0.283579 0.75 0.428646 ] [ 0.716421 0.25 0.571354 ] [ 0.704423 0.75 0.09546 ] [ 0.02976 0.25 0.125943 ] [ 0.468598 0.25 0.171385 ] [ 0.185034 0.951712 0.310822 ] [ 0.185034 0.548288 0.310822 ] [ 0.853678 0.25 0.397963 ] [ 0.613658 0.75 0.469913 ] [ 0.386342 0.25 0.530087 ] [ 0.146322 0.75 0.602037 ] [ 0.814966 0.451712 0.689178 ] [ 0.814966 0.048288 0.689178 ] [ 0.531402 0.75 0.828615 ] [ 0.97024 0.75 0.874057 ] [ 0.295577 0.25 0.90454 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "B" "B" "As" "As" "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" 5.16810392 "source-unit" "angstrom" } "b" { "source-value" 6.39592877 "source-unit" "angstrom" } "c" { "source-value" 8.76085207 "source-unit" "angstrom" } "beta" { "source-value" 93.22355011 "source-unit" "degree" } }