{ "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" [ [ 0.818793 0.215918 0.833194 ] [ 0.181207 0.784082 0.166806 ] [ 0.959334 0.702348 0.593399 ] [ 0.040666 0.297652 0.406601 ] [ 0.279816 0.583915 0.610765 ] [ 0.720184 0.416085 0.389235 ] [ 0.94336 0.98862 0.742166 ] [ 0.05664 0.01138 0.257834 ] [ 0.080639 0.656581 0.953277 ] [ 0.919361 0.343419 0.046723 ] [ 0.555111 0.911733 0.745012 ] [ 0.444889 0.088267 0.254988 ] [ 0.123196 0.452737 0.792303 ] [ 0.876804 0.547263 0.207697 ] [ 0.823676 0.206854 0.617341 ] [ 0.176324 0.793146 0.382659 ] [ 0.659858 0.427883 0.858396 ] [ 0.340142 0.572117 0.141604 ] [ 0.515427 0.556647 0.78253 ] [ 0.484573 0.443353 0.21747 ] [ 0.743319 0.655204 0.780243 ] [ 0.256681 0.344796 0.219757 ] [ 0.310365 0.256331 0.622434 ] [ 0.689635 0.743669 0.377566 ] [ 0.596816 0.812042 0.499347 ] [ 0.403184 0.187958 0.500653 ] [ 0.477715 0.172345 0.626915 ] [ 0.522285 0.827655 0.373085 ] [ 0.241336 0.034806 0.562745 ] [ 0.758664 0.965194 0.437255 ] [ 0.256982 0.018146 0.967462 ] [ 0.743018 0.981854 0.032538 ] [ 0.721598 0.776512 0.969931 ] [ 0.278401 0.223488 0.030069 ] [ 0.418834 0.196746 0.927129 ] [ 0.581166 0.803254 0.072871 ] [ 0.173743 0.121685 0.888425 ] [ 0.826257 0.878315 0.111575 ] [ 0.644444 0.837506 0.420947 ] [ 0.355556 0.162494 0.579053 ] [ 0.720251 0.862675 0.047363 ] [ 0.279749 0.137325 0.952637 ] [ 0.00573 0.121522 0.776428 ] [ 0.99427 0.878478 0.223572 ] [ 0.895553 0.226133 0.992865 ] [ 0.104447 0.773867 0.007135 ] [ 0.610615 0.986711 0.827308 ] [ 0.389385 0.013289 0.172692 ] [ 0.969599 0.547768 0.148489 ] [ 0.030401 0.452232 0.851511 ] [ 0.724626 0.194364 0.672943 ] [ 0.275374 0.805636 0.327057 ] [ 0.64476 0.322958 0.889239 ] [ 0.35524 0.677042 0.110761 ] [ 0.925179 0.403451 0.371669 ] [ 0.074821 0.596549 0.628331 ] [ 0.758311 0.536029 0.523049 ] [ 0.241689 0.463971 0.476951 ] [ 0.901311 0.784154 0.7044 ] [ 0.098689 0.215846 0.2956 ] [ 0.064487 0.814606 0.515567 ] [ 0.935513 0.185394 0.484433 ] [ 0.554016 0.241261 0.383544 ] [ 0.445984 0.758739 0.616456 ] [ 0.706472 0.521254 0.307455 ] [ 0.293528 0.478746 0.692545 ] [ 0.644198 0.590761 0.827014 ] [ 0.355802 0.409239 0.172986 ] ] } "species" { "source-value" [ "Te" "Te" "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" "H" "H" "H" "H" "H" "H" "H" "H" "N" "N" "N" "N" "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" 7.57169955 "source-unit" "angstrom" } "b" { "source-value" 8.65712301 "source-unit" "angstrom" } "c" { "source-value" 11.90574561 "source-unit" "angstrom" } "alpha" { "source-value" 104.05574633 "source-unit" "degree" } "beta" { "source-value" 90.65142354 "source-unit" "degree" } "gamma" { "source-value" 114.70809803 "source-unit" "degree" } }