{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pn2_1a" } "basis-atom-coordinates" { "source-value" [ [ 0.518912 0.00677 0.211596 ] [ 0.018912 0.00677 0.288404 ] [ 0.981088 0.50677 0.711596 ] [ 0.481088 0.50677 0.788404 ] [ 0.196527 0.833624 0.919282 ] [ 0.803473 0.333624 0.080718 ] [ 0.303473 0.333624 0.419282 ] [ 0.696527 0.833624 0.580718 ] [ 0.01879 0.677932 0.135355 ] [ 0.98121 0.177932 0.864645 ] [ 0.48121 0.177932 0.635355 ] [ 0.51879 0.677932 0.364645 ] [ 0.990123 0.450928 0.371153 ] [ 0.009877 0.950928 0.628847 ] [ 0.490123 0.450928 0.128847 ] [ 0.509877 0.950928 0.871153 ] [ 0.217783 0.636347 0.81203 ] [ 0.425736 0.499153 0.308797 ] [ 0.562563 0.413025 0.016471 ] [ 0.437437 0.913025 0.983529 ] [ 0.574264 0.999153 0.691203 ] [ 0.937437 0.913025 0.516471 ] [ 0.925736 0.499153 0.191203 ] [ 0.074264 0.999153 0.808797 ] [ 0.581462 0.806351 0.380279 ] [ 0.081462 0.806351 0.119721 ] [ 0.918538 0.306351 0.880279 ] [ 0.418538 0.306351 0.619721 ] [ 0.282217 0.136347 0.31203 ] [ 0.717783 0.636347 0.68797 ] [ 0.062563 0.413025 0.483529 ] [ 0.782217 0.136347 0.18797 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "As" "As" "As" "As" "H" "H" "H" "H" "H" "H" "H" "H" "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" 6.59029118 "source-unit" "angstrom" } "b" { "source-value" 7.36320631 "source-unit" "angstrom" } "c" { "source-value" 7.84564849 "source-unit" "angstrom" } }