{ "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" [ [ 0.252079 0.47838 0.269713 ] [ 0.252079 0.02162 0.269713 ] [ 0.747921 0.52162 0.730287 ] [ 0.747921 0.97838 0.730287 ] [ 0.299847 0.75 0.017295 ] [ 0.700153 0.25 0.982705 ] [ 0.766621 0.75 0.369296 ] [ 0.233379 0.25 0.630704 ] [ 0.719721 0.25 0.421222 ] [ 0.280279 0.75 0.578778 ] [ 0.738112 0.75 0.074257 ] [ 0.261888 0.25 0.925743 ] [ 0.349306 0.25 0.048078 ] [ 0.975075 0.75 0.103953 ] [ 0.57204 0.75 0.171383 ] [ 0.773314 0.071716 0.337238 ] [ 0.773314 0.428284 0.337238 ] [ 0.129309 0.75 0.442836 ] [ 0.435934 0.25 0.458188 ] [ 0.564066 0.75 0.541812 ] [ 0.870691 0.25 0.557164 ] [ 0.226686 0.571716 0.662762 ] [ 0.226686 0.928284 0.662762 ] [ 0.42796 0.25 0.828617 ] [ 0.024925 0.25 0.896047 ] [ 0.650694 0.75 0.951922 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Li" "Li" "Mn" "Mn" "P" "P" "C" "C" "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" 5.35097956 "source-unit" "angstrom" } "b" { "source-value" 7.16737408 "source-unit" "angstrom" } "c" { "source-value" 9.92495582 "source-unit" "angstrom" } "beta" { "source-value" 90.95907691 "source-unit" "degree" } }