{ "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" [ [ 0.798122 0.52017 0.195685 ] [ 0.798122 0.97983 0.195685 ] [ 0.201878 0.47983 0.804315 ] [ 0.201878 0.02017 0.804315 ] [ 0.256856 0.25 0.372916 ] [ 0.743144 0.75 0.627084 ] [ 0.265632 0.75 0.400546 ] [ 0.734368 0.25 0.599454 ] [ 0.257646 0.25 0.068449 ] [ 0.742354 0.75 0.931551 ] [ 0.728618 0.75 0.068461 ] [ 0.027916 0.25 0.132067 ] [ 0.476477 0.25 0.155841 ] [ 0.127128 0.932912 0.335026 ] [ 0.127128 0.567088 0.335026 ] [ 0.760341 0.25 0.430415 ] [ 0.573527 0.75 0.379684 ] [ 0.426473 0.25 0.620316 ] [ 0.239659 0.75 0.569585 ] [ 0.872872 0.432912 0.664974 ] [ 0.872872 0.067088 0.664974 ] [ 0.523523 0.75 0.844159 ] [ 0.972084 0.75 0.867933 ] [ 0.271382 0.25 0.931539 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Sm" "Sm" "P" "P" "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" 4.97218196 "source-unit" "angstrom" } "b" { "source-value" 6.87808733 "source-unit" "angstrom" } "c" { "source-value" 9.25935634 "source-unit" "angstrom" } "beta" { "source-value" 92.97079329 "source-unit" "degree" } }