{ "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 0 0 ] [ 0 0.5 0 ] [ 0.968331 0.930789 0.665603 ] [ 0.968331 0.569211 0.665603 ] [ 0.031669 0.430789 0.334397 ] [ 0.031669 0.069211 0.334397 ] [ 0.670383 0.75 0.177319 ] [ 0.596092 0.25 0.537327 ] [ 0.458091 0.25 0.138915 ] [ 0.541909 0.75 0.861085 ] [ 0.403908 0.75 0.462673 ] [ 0.329617 0.25 0.822681 ] [ 0.449583 0.75 0.027967 ] [ 0.839524 0.60269 0.184789 ] [ 0.755269 0.25 0.231689 ] [ 0.7639 0.397371 0.516268 ] [ 0.7639 0.102629 0.516268 ] [ 0.704748 0.75 0.550961 ] [ 0.713624 0.896788 0.847114 ] [ 0.713624 0.603212 0.847114 ] [ 0.839524 0.89731 0.184789 ] [ 0.558428 0.25 0.709906 ] [ 0.441572 0.75 0.290094 ] [ 0.550417 0.25 0.972033 ] [ 0.286376 0.396788 0.152886 ] [ 0.286376 0.103212 0.152886 ] [ 0.160476 0.10269 0.815211 ] [ 0.2361 0.897371 0.483732 ] [ 0.2361 0.602629 0.483732 ] [ 0.244731 0.75 0.768311 ] [ 0.160476 0.39731 0.815211 ] [ 0.295252 0.25 0.449039 ] ] } "species" { "source-value" [ "Li" "Li" "V" "V" "V" "V" "P" "P" "P" "P" "P" "P" "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" 4.68877693436 "source-unit" "angstrom" } "b" { "source-value" 8.74395388 "source-unit" "angstrom" } "c" { "source-value" 9.19562803752 "source-unit" "angstrom" } "beta" { "source-value" 97.4037058992 "source-unit" "degree" } }