{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0 0.251256 0 ] [ 0.5 0.751256 0 ] [ 0 0.875962 0 ] [ 0.5 0.375962 0 ] [ 0.294473 0.040113 0.5874 ] [ 0.705527 0.040113 0.4126 ] [ 0.794473 0.540113 0.5874 ] [ 0.205527 0.540113 0.4126 ] [ 0.136628 0.058911 0.291269 ] [ 0.863372 0.058911 0.708731 ] [ 0.744512 0.903229 0.215076 ] [ 0.176235 0.696313 0.254438 ] [ 0.255488 0.903229 0.784924 ] [ 0.823765 0.696313 0.745562 ] [ 0 0.480796 0.5 ] [ 0.636628 0.558911 0.291269 ] [ 0.363372 0.558911 0.708731 ] [ 0.244512 0.403229 0.215076 ] [ 0.676235 0.196313 0.254438 ] [ 0.755488 0.403229 0.784924 ] [ 0.323765 0.196313 0.745562 ] [ 0.5 0.980796 0.5 ] ] } "species" { "source-value" [ "Li" "Li" "Mo" "Mo" "P" "P" "P" "P" "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" 6.74894259874 "source-unit" "angstrom" } "b" { "source-value" 8.54712158671 "source-unit" "angstrom" } "c" { "source-value" 4.62824698493 "source-unit" "angstrom" } "beta" { "source-value" 103.099620067 "source-unit" "degree" } }