{ "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" [ [ 0.177212 0.418845 0.175476 ] [ 0.91763 0.865389 0.479522 ] [ 0.08237 0.134611 0.520478 ] [ 0.822788 0.581155 0.824524 ] [ 0.845104 0.875187 0.120129 ] [ 0.351472 0.865574 0.112008 ] [ 0.154896 0.124813 0.879871 ] [ 0.418939 0.84988 0.484622 ] [ 0.581061 0.15012 0.515378 ] [ 0.648528 0.134426 0.887992 ] [ 0.253779 0.601264 0.360631 ] [ 0.185554 0.401995 0.626864 ] [ 0.351626 0.41636 0.849922 ] [ 0.450132 0.12659 0.231306 ] [ 0.773441 0.312789 0.076101 ] [ 0.814446 0.598005 0.373136 ] [ 0.648374 0.58364 0.150078 ] [ 0.981331 0.867322 0.768809 ] [ 0.746221 0.398736 0.639369 ] [ 0.549868 0.87341 0.768694 ] [ 0.018669 0.132678 0.231191 ] [ 0.226559 0.687211 0.923899 ] [ 0.294376 0.501367 0.490196 ] [ 0.55962 0.265987 0.175224 ] [ 0.743624 0.754776 0.371289 ] [ 0.065637 0.0236 0.130696 ] [ 0.257999 0.757894 0.359151 ] [ 0.705624 0.498633 0.509804 ] [ 0.112152 0.912583 0.616881 ] [ 0.44038 0.734013 0.824776 ] [ 0.222075 0.182152 0.237121 ] [ 0.256376 0.245224 0.628711 ] [ 0.579965 0.450976 0.771405 ] [ 0.934363 0.9764 0.869304 ] [ 0.260463 0.52175 0.958047 ] [ 0.420035 0.549024 0.228595 ] [ 0.074135 0.722163 0.836366 ] [ 0.887848 0.087417 0.383119 ] [ 0.742001 0.242106 0.640849 ] [ 0.653214 0.736939 0.081956 ] [ 0.451453 0.978079 0.873532 ] [ 0.051202 0.56081 0.34882 ] [ 0.739537 0.47825 0.041953 ] [ 0.777925 0.817848 0.762879 ] [ 0.85265 0.248861 0.942043 ] [ 0.346786 0.263061 0.918044 ] [ 0.554628 0.932983 0.617149 ] [ 0.14735 0.751139 0.057957 ] [ 0.780621 0.54214 0.251229 ] [ 0.219379 0.45786 0.748771 ] [ 0.925865 0.277837 0.163634 ] [ 0.445372 0.067017 0.382851 ] [ 0.948798 0.43919 0.65118 ] [ 0.548547 0.021921 0.126468 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 7.30466890884 "source-unit" "angstrom" } "b" { "source-value" 10.2853610148 "source-unit" "angstrom" } "c" { "source-value" 10.7964529183 "source-unit" "angstrom" } "alpha" { "source-value" 78.2037523598 "source-unit" "degree" } "beta" { "source-value" 70.2700631935 "source-unit" "degree" } "gamma" { "source-value" 80.9138580641 "source-unit" "degree" } }