{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.246457 0.75 0.090909 ] [ 0.757646 0.995614 0.233537 ] [ 0.757646 0.504386 0.233537 ] [ 0.242354 0.495614 0.766463 ] [ 0.242354 0.004386 0.766463 ] [ 0.753543 0.25 0.909091 ] [ 0.206895 0.25 0.317151 ] [ 0.793105 0.75 0.682849 ] [ 0.283364 0.25 0.039647 ] [ 0.716636 0.75 0.960353 ] [ 0.269071 0.75 0.414915 ] [ 0.730929 0.25 0.585085 ] [ 0.644558 0.75 0.110355 ] [ 0.026185 0.25 0.087423 ] [ 0.477032 0.25 0.169474 ] [ 0.170503 0.940494 0.29245 ] [ 0.170503 0.559506 0.29245 ] [ 0.607497 0.75 0.459913 ] [ 0.858143 0.25 0.40282 ] [ 0.141857 0.75 0.59718 ] [ 0.392503 0.25 0.540087 ] [ 0.829497 0.440494 0.70755 ] [ 0.829497 0.059506 0.70755 ] [ 0.522968 0.75 0.830526 ] [ 0.973815 0.75 0.912577 ] [ 0.355442 0.25 0.889645 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "B" "B" "As" "As" "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" 5.05478276 "source-unit" "angstrom" } "b" { "source-value" 6.81952132 "source-unit" "angstrom" } "c" { "source-value" 8.4964496 "source-unit" "angstrom" } "beta" { "source-value" 94.57196069 "source-unit" "degree" } }