{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.146683 0.170076 0.661716 ] [ 0.187045 0.166246 0.169921 ] [ 0.322657 0.33489 0.408857 ] [ 0.337046 0.322097 0.915233 ] [ 0.681929 0.667865 0.154985 ] [ 0.167944 0.830088 0.630985 ] [ 0.181436 0.503239 0.1363 ] [ 0.318654 0.987255 0.88007 ] [ 0.33784 0.666716 0.382183 ] [ 0.655023 0.347518 0.62577 ] [ 0.670164 0.005469 0.127688 ] [ 0.828831 0.151114 0.389178 ] [ 0.837303 0.505069 0.87468 ] [ 0.153691 0.497556 0.626274 ] [ 0.16559 0.838904 0.12969 ] [ 0.337109 0.0002 0.377479 ] [ 0.339623 0.65755 0.875399 ] [ 0.671259 0.001441 0.636205 ] [ 0.676223 0.329423 0.120253 ] [ 0.828833 0.488744 0.366739 ] [ 0.825154 0.175077 0.883093 ] [ 0.093528 0.483515 0.34061 ] [ 0.087821 0.169855 0.86389 ] [ 0.214369 0.781339 0.828066 ] [ 0.232208 0.876592 0.43713 ] [ 0.206536 0.133329 0.36822 ] [ 0.199593 0.531014 0.913607 ] [ 0.27599 0.363878 0.607919 ] [ 0.299407 0.968041 0.093767 ] [ 0.266674 0.628336 0.585676 ] [ 0.300983 0.712784 0.162057 ] [ 0.411465 0.322586 0.115106 ] [ 0.405418 0.001307 0.666353 ] [ 0.581398 0.995536 0.320473 ] [ 0.598218 0.655691 0.891457 ] [ 0.688743 0.304506 0.848932 ] [ 0.704612 0.363566 0.417868 ] [ 0.692122 0.613491 0.33919 ] [ 0.683942 0.058668 0.93489 ] [ 0.806478 0.457618 0.082364 ] [ 0.816857 0.876922 0.644025 ] [ 0.785901 0.13456 0.597471 ] [ 0.817283 0.205493 0.160587 ] [ 0.902995 0.842253 0.130423 ] [ 0.910936 0.49979 0.683175 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "B" "B" "B" "B" "B" "B" "B" "B" "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" 5.22009549 "source-unit" "angstrom" } "b" { "source-value" 9.08148344 "source-unit" "angstrom" } "c" { "source-value" 10.25588668 "source-unit" "angstrom" } "alpha" { "source-value" 89.01411715 "source-unit" "degree" } "beta" { "source-value" 89.23996526 "source-unit" "degree" } "gamma" { "source-value" 89.82965781 "source-unit" "degree" } }