{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc2_1n" } "basis-atom-coordinates" { "source-value" [ [ 0.839657 0.200243 0.585835 ] [ 0.140741 0.293759 0.935982 ] [ 0.255152 0.989837 0.052197 ] [ 0.339657 0.700243 0.914165 ] [ 0.572371 0.494759 0.19567 ] [ 0.954224 0.290358 0.196555 ] [ 0.755152 0.489837 0.447803 ] [ 0.241955 0.411957 0.800172 ] [ 0.927629 0.494759 0.69567 ] [ 0.427629 0.994759 0.80433 ] [ 0.859259 0.793759 0.064018 ] [ 0.629878 0.606759 0.802832 ] [ 0.947701 0.910866 0.938815 ] [ 0.665385 0.200901 0.318097 ] [ 0.165385 0.700901 0.181903 ] [ 0.447701 0.410866 0.561185 ] [ 0.741955 0.911957 0.699828 ] [ 0.744848 0.489837 0.947803 ] [ 0.758045 0.911957 0.199828 ] [ 0.244848 0.989837 0.552197 ] [ 0.045502 0.596027 0.558741 ] [ 0.454224 0.790358 0.303445 ] [ 0.545776 0.290358 0.696555 ] [ 0.834615 0.200901 0.818097 ] [ 0.160343 0.700243 0.414165 ] [ 0.258045 0.411957 0.300172 ] [ 0.334615 0.700901 0.681903 ] [ 0.545502 0.096027 0.941259 ] [ 0.640741 0.793759 0.564018 ] [ 0.870122 0.606759 0.302832 ] [ 0.359259 0.293759 0.435982 ] [ 0.954498 0.096027 0.441259 ] [ 0.370122 0.106759 0.197168 ] [ 0.660343 0.200243 0.085835 ] [ 0.052299 0.410866 0.061185 ] [ 0.129878 0.106759 0.697168 ] [ 0.072371 0.994759 0.30433 ] [ 0.045776 0.790358 0.803445 ] [ 0.552299 0.910866 0.438815 ] [ 0.454498 0.596027 0.058741 ] [ 0.30133 0.379395 0.138678 ] [ 0.357077 0.699616 0.515492 ] [ 0.937657 0.898453 0.528409 ] [ 0.953126 0.099606 0.032211 ] [ 0.857077 0.199616 0.984508 ] [ 0.142923 0.699616 0.015492 ] [ 0.368607 0.290392 0.024176 ] [ 0.65851 0.560355 0.640758 ] [ 0.69867 0.879395 0.861322 ] [ 0.457828 0.013471 0.643184 ] [ 0.518579 0.328867 0.857512 ] [ 0.868607 0.790392 0.475824 ] [ 0.15851 0.060355 0.859242 ] [ 0.546874 0.099606 0.532211 ] [ 0.018579 0.828867 0.642488 ] [ 0.34149 0.060355 0.359242 ] [ 0.131393 0.290392 0.524176 ] [ 0.453126 0.599606 0.467789 ] [ 0.046874 0.599606 0.967789 ] [ 0.84149 0.560355 0.140758 ] [ 0.542172 0.513471 0.356816 ] [ 0.19867 0.379395 0.638678 ] [ 0.481421 0.828867 0.142488 ] [ 0.437657 0.398453 0.971591 ] [ 0.957828 0.513471 0.856816 ] [ 0.631393 0.790392 0.975824 ] [ 0.80133 0.879395 0.361322 ] [ 0.642923 0.199616 0.484508 ] [ 0.562343 0.898453 0.028409 ] [ 0.062343 0.398453 0.471591 ] [ 0.981421 0.328867 0.357512 ] [ 0.042172 0.013471 0.143184 ] [ 0.564976 0.498226 0.296205 ] [ 0.537286 0.305112 0.797116 ] [ 0.648489 0.80211 0.913756 ] [ 0.467761 0.594006 0.405559 ] [ 0.449046 0.387598 0.909864 ] [ 0.245116 0.992323 0.908216 ] [ 0.661365 0.197426 0.192486 ] [ 0.838321 0.198766 0.922887 ] [ 0.037286 0.805112 0.702884 ] [ 0.838635 0.197426 0.692486 ] [ 0.745116 0.492323 0.591784 ] [ 0.148489 0.30211 0.586244 ] [ 0.765012 0.898917 0.301618 ] [ 0.338321 0.698766 0.577113 ] [ 0.032239 0.594006 0.905559 ] [ 0.632738 0.605125 0.699527 ] [ 0.851511 0.80211 0.413756 ] [ 0.234988 0.398917 0.698382 ] [ 0.351511 0.30211 0.086244 ] [ 0.161365 0.697426 0.307514 ] [ 0.435024 0.998226 0.703795 ] [ 0.734988 0.898917 0.801618 ] [ 0.661679 0.198766 0.422887 ] [ 0.132738 0.105125 0.800473 ] [ 0.050954 0.387598 0.409864 ] [ 0.254884 0.992323 0.408216 ] [ 0.532239 0.094006 0.594441 ] [ 0.161679 0.698766 0.077113 ] [ 0.064976 0.998226 0.203795 ] [ 0.462714 0.805112 0.202884 ] [ 0.550954 0.887598 0.090136 ] [ 0.367262 0.105125 0.300473 ] [ 0.935024 0.498226 0.796205 ] [ 0.967761 0.094006 0.094441 ] [ 0.338635 0.697426 0.807514 ] [ 0.962714 0.305112 0.297116 ] [ 0.949046 0.887598 0.590136 ] [ 0.265012 0.398917 0.198382 ] [ 0.754884 0.492323 0.091784 ] [ 0.867262 0.605125 0.199527 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.29700461 "source-unit" "angstrom" } "b" { "source-value" 8.35482234 "source-unit" "angstrom" } "c" { "source-value" 23.958314 "source-unit" "angstrom" } }