{ "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" [ [ 0.557938 0.698649 0.274906 ] [ 0.441015 0.290179 0.729922 ] [ 0.15933 0.838922 0.671666 ] [ 0.835023 0.189407 0.33369 ] [ 0.619577 0.791996 0.716756 ] [ 0.378601 0.204474 0.277142 ] [ 0.047934 0.692752 0.206074 ] [ 0.941432 0.289599 0.788583 ] [ 0.119289 0.529685 0.539169 ] [ 0.265736 0.463341 0.04832 ] [ 0.741817 0.543321 0.946091 ] [ 0.003001 0.991013 0.022704 ] [ 0.788966 0.277168 0.649944 ] [ 0.193659 0.684685 0.362979 ] [ 0.077645 0.103572 0.832757 ] [ 0.944144 0.906316 0.161719 ] [ 0.662862 0.675375 0.934891 ] [ 0.33986 0.327557 0.059803 ] [ 0.506565 0.649129 0.628761 ] [ 0.48721 0.344381 0.371988 ] [ 0.819265 0.862106 0.596127 ] [ 0.177209 0.134774 0.395126 ] [ 0.474202 0.959405 0.74332 ] [ 0.52262 0.036735 0.249245 ] [ 0.167788 0.666716 0.015168 ] [ 0.844734 0.338139 0.977793 ] [ 0.877335 0.54523 0.284707 ] [ 0.103743 0.462573 0.688751 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "P" "P" "P" "P" "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" 6.72047042684 "source-unit" "angstrom" } "b" { "source-value" 6.98101733372 "source-unit" "angstrom" } "c" { "source-value" 7.09704070684 "source-unit" "angstrom" } "alpha" { "source-value" 75.7161556798 "source-unit" "degree" } "beta" { "source-value" 83.3593513689 "source-unit" "degree" } "gamma" { "source-value" 88.1761900511 "source-unit" "degree" } }