{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1nm" } "basis-atom-coordinates" { "source-value" [ [ 0.10214 0.845385 0 ] [ 0.60214 0.154615 0.5 ] [ 0.569969 0.596015 0 ] [ 0.069969 0.403985 0.5 ] [ 0.959416 0.341825 0 ] [ 0.033246 0.967851 0.5 ] [ 0.823367 0.026306 0.384016 ] [ 0.823367 0.026306 0.615984 ] [ 0.800759 0.481728 0.116283 ] [ 0.323367 0.973694 0.884016 ] [ 0.459416 0.658175 0.5 ] [ 0.323367 0.973694 0.115984 ] [ 0.300759 0.518272 0.616283 ] [ 0.800759 0.481728 0.883717 ] [ 0.300759 0.518272 0.383717 ] [ 0.533246 0.032149 0 ] [ 0.962651 0.997009 0.609317 ] [ 0.462651 0.002991 0.109317 ] [ 0.231687 0.485356 0.5 ] [ 0.462651 0.002991 0.890683 ] [ 0.962651 0.997009 0.390683 ] [ 0.757168 0.06525 0.5 ] [ 0.901537 0.388664 0.10938 ] [ 0.731687 0.514644 0 ] [ 0.257168 0.93475 0 ] [ 0.401537 0.611336 0.60938 ] [ 0.401537 0.611336 0.39062 ] [ 0.901537 0.388664 0.89062 ] [ 0.999579 0.890518 0.859766 ] [ 0.063548 0.302738 0.358148 ] [ 0.499579 0.109482 0.359766 ] [ 0.230469 0.102529 0.822467 ] [ 0.174767 0.566492 0.721419 ] [ 0.868991 0.620259 0.818578 ] [ 0.195022 0.040708 0.5 ] [ 0.563548 0.697262 0.858148 ] [ 0.799292 0.146757 0.723379 ] [ 0.563548 0.697262 0.141852 ] [ 0.43741 0.466143 0 ] [ 0.999579 0.890518 0.140234 ] [ 0.730469 0.897471 0.322467 ] [ 0.695022 0.959292 0 ] [ 0.368991 0.379741 0.681422 ] [ 0.674767 0.433508 0.221419 ] [ 0.499579 0.109482 0.640234 ] [ 0.368991 0.379741 0.318578 ] [ 0.674767 0.433508 0.778581 ] [ 0.299292 0.853243 0.223379 ] [ 0.230469 0.102529 0.177533 ] [ 0.868991 0.620259 0.181422 ] [ 0.799292 0.146757 0.276621 ] [ 0.174767 0.566492 0.278581 ] [ 0.639044 0.632296 0.5 ] [ 0.448963 0.82477 0.5 ] [ 0.93741 0.533857 0.5 ] [ 0.075638 0.804315 0.5 ] [ 0.575638 0.195685 0 ] [ 0.063548 0.302738 0.641852 ] [ 0.299292 0.853243 0.776621 ] [ 0.948963 0.17523 0 ] [ 0.730469 0.897471 0.677533 ] [ 0.156355 0.675241 0 ] [ 0.656355 0.324759 0.5 ] [ 0.139044 0.367704 0 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 11.02806021 "source-unit" "angstrom" } "b" { "source-value" 12.03436518 "source-unit" "angstrom" } "c" { "source-value" 12.32055722 "source-unit" "angstrom" } }