{ "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" [ [ 0.524713 0.465889 0.156073 ] [ 0.828715 0.494878 0.69433 ] [ 0.320911 0.940515 0.52556 ] [ 0.330036 0.464052 0.619964 ] [ 0.832627 0.964136 0.602192 ] [ 0.971419 0.47729 0.095645 ] [ 0.899272 0.716458 0.176619 ] [ 0.41877 0.884877 0.056956 ] [ 0.222475 0.732647 0.013965 ] [ 0.186872 0.246271 0.236521 ] [ 0.164356 0.179202 0.984795 ] [ 0.660081 0.066126 0.270002 ] [ 0.787101 0.085795 0.078297 ] [ 0.783603 0.447749 0.441941 ] [ 0.322456 0.008781 0.77754 ] [ 0.350989 0.615673 0.473208 ] [ 0.140393 0.522705 0.753003 ] [ 0.307801 0.236327 0.468433 ] [ 0.523867 0.480689 0.77549 ] [ 0.856072 0.19605 0.737881 ] [ 0.010139 0.906719 0.446691 ] [ 0.828407 0.817041 0.751717 ] [ 0.627137 0.936164 0.456133 ] [ 0.86106 0.581968 0.070919 ] [ 0.331074 0.796855 0.12307 ] [ 0.165094 0.300986 0.109425 ] [ 0.648959 0.105955 0.133932 ] ] } "species" { "source-value" [ "Ca" "V" "V" "P" "P" "H" "H" "H" "H" "H" "H" "H" "H" "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" 6.39674534 "source-unit" "angstrom" } "b" { "source-value" 6.42925315 "source-unit" "angstrom" } "c" { "source-value" 6.66791201 "source-unit" "angstrom" } "alpha" { "source-value" 104.48703012 "source-unit" "degree" } "beta" { "source-value" 93.60593758 "source-unit" "degree" } "gamma" { "source-value" 89.77188928 "source-unit" "degree" } }