{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.292974 0.5 0.010329 ] [ 0.340378 0.5 0.641478 ] [ 0.3651 0.5 0.348705 ] [ 0.793498 0.5 0.506622 ] [ 0.840862 0.5 0.14311 ] [ 0.865349 0.5 0.849934 ] [ 0.19173 0 0.819985 ] [ 0.674355 0 0.68599 ] [ 0.137344 0 0.495536 ] [ 0.175775 0 0.183909 ] [ 0.637297 0 0.996843 ] [ 0.687315 0 0.319905 ] [ 0.9999 0.5 0.333053 ] [ 0.998278 0 0.000537 ] [ 0.00115 0.5 0.665545 ] [ 0.500027 0.5 0.835103 ] [ 0.500518 0 0.498855 ] [ 0.500001 0.5 0.166498 ] [ 0.011165 0.5 0.568262 ] [ 0.019034 0.5 0.236117 ] [ 0.135807 0.5 0.390959 ] [ 0.141258 0.5 0.719011 ] [ 0.150893 0 0.042331 ] [ 0.347252 0.5 0.875984 ] [ 0.348147 0.5 0.208718 ] [ 0.361845 0 0.554364 ] [ 0.486117 0 0.401719 ] [ 0.512435 0.5 0.069415 ] [ 0.51393 0.5 0.737798 ] [ 0.637766 0.5 0.891129 ] [ 0.639324 0.5 0.221237 ] [ 0.653114 0 0.539944 ] [ 0.845233 0.5 0.371798 ] [ 0.851192 0.5 0.70947 ] [ 0.860139 0 0.05621 ] [ 0.983495 0 0.903594 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Fe" "Fe" "Fe" "Fe" "B" "B" "B" "B" "B" "B" "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" 8.26642751 "source-unit" "angstrom" } "b" { "source-value" 3.14831424 "source-unit" "angstrom" } "c" { "source-value" 14.29595785 "source-unit" "angstrom" } "beta" { "source-value" 90.01468402 "source-unit" "degree" } }