{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.003508 0.50643 0.466472 ] [ 0.496492 0.49357 0.966472 ] [ 0.996492 0.00643 0.033528 ] [ 0.503508 0.99357 0.533528 ] [ 0.207517 0.520764 0.72829 ] [ 0.707517 0.979236 0.27171 ] [ 0.792483 0.020764 0.77171 ] [ 0.292483 0.479236 0.22829 ] [ 0.790012 0.515676 0.167717 ] [ 0.290012 0.984324 0.832283 ] [ 0.709988 0.484324 0.667717 ] [ 0.209988 0.015676 0.332283 ] [ 0.549519 0.988828 0.902856 ] [ 0.60861 0.253449 0.155642 ] [ 0.112768 0.070323 0.221343 ] [ 0.428894 0.244328 0.353782 ] [ 0.387232 0.929677 0.721343 ] [ 0.39139 0.753449 0.344358 ] [ 0.89139 0.746551 0.655642 ] [ 0.612768 0.429677 0.778657 ] [ 0.950481 0.011172 0.402856 ] [ 0.571106 0.744328 0.146218 ] [ 0.049519 0.511172 0.097144 ] [ 0.071106 0.755672 0.853782 ] [ 0.10861 0.246551 0.844358 ] [ 0.928894 0.255672 0.646218 ] [ 0.450481 0.488828 0.597144 ] [ 0.887232 0.570323 0.278657 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Sm" "Sm" "Sm" "Sm" "Si" "Si" "Si" "Si" "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" 6.49623268 "source-unit" "angstrom" } "b" { "source-value" 6.80302607 "source-unit" "angstrom" } "c" { "source-value" 18.05905413 "source-unit" "angstrom" } }