{ "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" [ [ 0.231587 0.500181 0.213351 ] [ 0.231587 0.999819 0.213351 ] [ 0.768413 0.499819 0.786649 ] [ 0.768413 0.000181 0.786649 ] [ 0.782911 0.75 0.357067 ] [ 0.217089 0.25 0.642933 ] [ 0.710152 0.25 0.413615 ] [ 0.289848 0.75 0.586385 ] [ 0.727667 0.75 0.067579 ] [ 0.272333 0.25 0.932421 ] [ 0.293257 0.25 0.067719 ] [ 0.945019 0.75 0.134641 ] [ 0.534395 0.75 0.15364 ] [ 0.821689 0.054289 0.325638 ] [ 0.821689 0.445711 0.325638 ] [ 0.190608 0.75 0.406652 ] [ 0.389372 0.25 0.414561 ] [ 0.610628 0.75 0.585439 ] [ 0.809392 0.25 0.593348 ] [ 0.178311 0.554289 0.674362 ] [ 0.178311 0.945711 0.674362 ] [ 0.465605 0.25 0.84636 ] [ 0.054981 0.25 0.865359 ] [ 0.706743 0.75 0.932281 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Sn" "Sn" "As" "As" "C" "C" "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" 5.41863879 "source-unit" "angstrom" } "b" { "source-value" 7.12103122 "source-unit" "angstrom" } "c" { "source-value" 9.28934849 "source-unit" "angstrom" } "beta" { "source-value" 90.78424504 "source-unit" "degree" } }