{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.373211 0.703187 0.192459 ] [ 0.89304 0.922637 0.744539 ] [ 0.956906 0.611539 0.358554 ] [ 0.863409 0.584626 0.10795 ] [ 0.053903 0.894234 0.429919 ] [ 0.33523 0.129094 0.18818 ] [ 0.086925 0.605496 0.516967 ] [ 0.697945 0.708918 0.626519 ] [ 0.641996 0.030714 0.120665 ] [ 0.895935 0.337322 0.017897 ] [ 0.359815 0.359855 0.324896 ] [ 0.795933 0.428568 0.678854 ] [ 0.3514 0.719094 0.652463 ] [ 0.988211 0.986284 0.637961 ] [ 0.086367 0.795183 0.164874 ] [ 0.937378 0.643418 0.997756 ] [ 0.131758 0.099634 0.284158 ] [ 0.149679 0.468497 0.613247 ] [ 0.671955 0.037389 0.011257 ] [ 0.360594 0.881173 0.466544 ] [ 0.717512 0.402834 0.305358 ] [ 0.479382 0.470798 0.144032 ] [ 0.761685 0.66304 0.520473 ] [ 0.936547 0.357504 0.454123 ] [ 0.109741 0.89395 0.815874 ] [ 0.673179 0.125171 0.743734 ] [ 0.321915 0.654159 0.303044 ] [ 0.963999 0.31112 0.120297 ] [ 0.190299 0.245385 0.436529 ] [ 0.41827 0.133296 0.816757 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.5131555966 "source-unit" "angstrom" } "b" { "source-value" 7.37133116544 "source-unit" "angstrom" } "c" { "source-value" 20.984531762 "source-unit" "angstrom" } "alpha" { "source-value" 98.810411984 "source-unit" "degree" } "beta" { "source-value" 91.8587056994 "source-unit" "degree" } "gamma" { "source-value" 112.764145181 "source-unit" "degree" } }