{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.498775 0.003049 0.249949 ] [ 0.501225 0.996951 0.750051 ] [ 0.5 0.5 0.5 ] [ 0.371818 0.220876 0.008542 ] [ 0.628182 0.779124 0.991458 ] [ 0.725052 0.111482 0.486034 ] [ 0.274948 0.888518 0.513966 ] [ 0.89701 0.169724 0.47352 ] [ 0.10299 0.830276 0.52648 ] [ 0.287601 0.386892 0.006651 ] [ 0.712399 0.613108 0.993349 ] [ 0.751586 0.24272 0.093347 ] [ 0.248414 0.75728 0.906653 ] [ 0.934675 0.314662 0.13511 ] [ 0.065325 0.685338 0.86489 ] [ 0.104271 0.917268 0.251284 ] [ 0.895729 0.082732 0.748716 ] [ 0.895605 0.919156 0.261607 ] [ 0.104395 0.080844 0.738393 ] [ 0.827691 0.563351 0.383827 ] [ 0.172309 0.436649 0.616173 ] [ 0.734457 0.731216 0.445795 ] [ 0.265543 0.268784 0.554205 ] [ 0.462703 0.414617 0.241825 ] [ 0.537297 0.585383 0.758175 ] [ 0.460708 0.620973 0.230981 ] [ 0.539292 0.379027 0.769019 ] [ 0.0978 0.466916 0.325565 ] [ 0.9022 0.533084 0.674435 ] [ 0.031465 0.58496 0.201425 ] [ 0.968535 0.41504 0.798575 ] [ 0.877199 0.24132 0.069373 ] [ 0.122801 0.75868 0.930627 ] [ 0.240937 0.085024 0.041502 ] [ 0.759063 0.914976 0.958498 ] [ 0.998056 0.880079 0.20372 ] [ 0.001944 0.119921 0.79628 ] [ 0.712983 0.970352 0.374107 ] [ 0.287017 0.029648 0.625893 ] [ 0.507234 0.220166 0.13076 ] [ 0.492766 0.779834 0.86924 ] [ 0.284554 0.96547 0.362885 ] [ 0.715446 0.03453 0.637115 ] [ 0.461667 0.207524 0.863286 ] [ 0.538333 0.792476 0.136714 ] [ 0.757078 0.605848 0.464169 ] [ 0.242922 0.394152 0.535831 ] [ 0.419056 0.520627 0.287435 ] [ 0.580944 0.479373 0.712565 ] [ 0.592474 0.258128 0.452508 ] [ 0.407526 0.741872 0.547492 ] [ 0.00069 0.484259 0.260263 ] [ 0.99931 0.515741 0.739737 ] ] } "species" { "source-value" [ "Zn" "Zn" "Zn" "Zn" "P" "P" "P" "P" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "O" "O" "O" "O" "O" "O" "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" 7.64805739 "source-unit" "angstrom" } "b" { "source-value" 7.79236024 "source-unit" "angstrom" } "c" { "source-value" 9.54094421 "source-unit" "angstrom" } "alpha" { "source-value" 88.14198325 "source-unit" "degree" } "beta" { "source-value" 89.25257255 "source-unit" "degree" } "gamma" { "source-value" 87.06722122 "source-unit" "degree" } }