{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.748235 0.084495 0.172183 ] [ 0.251765 0.584495 0.327817 ] [ 0.251765 0.915505 0.827817 ] [ 0.748235 0.415505 0.672183 ] [ 0.237006 0.231423 0.473942 ] [ 0.762994 0.731423 0.026058 ] [ 0.762994 0.768577 0.526058 ] [ 0.237006 0.268577 0.973942 ] [ 0.720942 0.075028 0.719561 ] [ 0.279058 0.924972 0.280439 ] [ 0.720942 0.424972 0.219561 ] [ 0.279058 0.575028 0.780439 ] [ 0.457878 0.84597 0.204593 ] [ 0.457878 0.65403 0.704593 ] [ 0.77494 0.947216 0.818617 ] [ 0.610018 0.461777 0.001959 ] [ 0.389982 0.961777 0.498041 ] [ 0.22506 0.447216 0.681383 ] [ 0.072889 0.84926 0.319076 ] [ 0.072889 0.65074 0.819076 ] [ 0.542122 0.15403 0.795407 ] [ 0.927111 0.34926 0.180924 ] [ 0.610018 0.038223 0.501959 ] [ 0.389982 0.538223 0.998041 ] [ 0.542122 0.34597 0.295407 ] [ 0.22506 0.052784 0.181383 ] [ 0.927111 0.15074 0.680924 ] [ 0.77494 0.552784 0.318617 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "P" "P" "P" "P" "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" 5.97723037517 "source-unit" "angstrom" } "b" { "source-value" 10.38388209 "source-unit" "angstrom" } "c" { "source-value" 7.49120276624 "source-unit" "angstrom" } "beta" { "source-value" 99.12457361 "source-unit" "degree" } }