{ "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" [ [ 0.23535 0.442717 0.466806 ] [ 0.353552 0.251623 0.035862 ] [ 0.262934 0.476023 0.661947 ] [ 0.287912 0.72001 0.474921 ] [ 0.364513 0.143591 0.249566 ] [ 0.367532 0.434056 0.191754 ] [ 0.381431 0.001604 0.46271 ] [ 0.334409 0.2145 0.793084 ] [ 0.429788 0.740203 0.107798 ] [ 0.395328 0.869881 0.279395 ] [ 0.355743 0.466005 0.853797 ] [ 0.427605 0.233958 0.56854 ] [ 0.5 0.5 0 ] [ 0.384906 0.980401 0.691764 ] [ 0.472331 0.598547 0.311472 ] [ 0.549757 0.010206 0.092402 ] [ 0.400072 0.741825 0.864499 ] [ 0.441714 0.707933 0.646058 ] [ 0.5 0.5 0.5 ] [ 0.558286 0.292067 0.353942 ] [ 0.599928 0.258175 0.135501 ] [ 0.450243 0.989794 0.907598 ] [ 0.527669 0.401453 0.688528 ] [ 0.615094 0.019599 0.308236 ] [ 0.572395 0.766042 0.43146 ] [ 0.644257 0.533995 0.146203 ] [ 0.604672 0.130119 0.720605 ] [ 0.570212 0.259797 0.892202 ] [ 0.665591 0.7855 0.206916 ] [ 0.618569 0.998396 0.53729 ] [ 0.632468 0.565944 0.808246 ] [ 0.635487 0.856409 0.750434 ] [ 0.712088 0.27999 0.525079 ] [ 0.737066 0.523977 0.338053 ] [ 0.646448 0.748377 0.964138 ] [ 0.76465 0.557283 0.533194 ] [ 0.041709 0.612465 0.574287 ] [ 0.138333 0.29422 0.19084 ] [ 0.151967 0.238578 0.644218 ] [ 0.151175 0.968304 0.374584 ] [ 0.234694 0.614026 0.032232 ] [ 0.130847 0.312821 0.925817 ] [ 0.201655 0.64067 0.289107 ] [ 0.270096 0.982862 0.094536 ] [ 0.191925 0.959642 0.858784 ] [ 0.808075 0.040358 0.141216 ] [ 0.729904 0.017138 0.905464 ] [ 0.798345 0.35933 0.710893 ] [ 0.869153 0.687179 0.074183 ] [ 0.765306 0.385974 0.967768 ] [ 0.848825 0.031696 0.625416 ] [ 0.848033 0.761422 0.355782 ] [ 0.861667 0.70578 0.80916 ] [ 0.958291 0.387535 0.425713 ] [ 0.231963 0.649719 0.769539 ] [ 0.319886 0.239239 0.406294 ] [ 0.247351 0.8663 0.603763 ] [ 0.752649 0.1337 0.396237 ] [ 0.680114 0.760761 0.593706 ] [ 0.768037 0.350281 0.230461 ] ] } "species" { "source-value" [ "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "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" 10.14604702 "source-unit" "angstrom" } "b" { "source-value" 10.38022387 "source-unit" "angstrom" } "c" { "source-value" 13.8779939 "source-unit" "angstrom" } "alpha" { "source-value" 79.38417887 "source-unit" "degree" } "beta" { "source-value" 81.33712815 "source-unit" "degree" } "gamma" { "source-value" 86.22956082 "source-unit" "degree" } }