{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.284626 0.75 ] [ 0 0.715374 0.25 ] [ 0.5 0.784626 0.75 ] [ 0.5 0.215374 0.25 ] [ 0.210343 0.851217 0.119879 ] [ 0.210343 0.148783 0.619879 ] [ 0.789657 0.851217 0.380121 ] [ 0.789657 0.148783 0.880121 ] [ 0.710343 0.351217 0.119879 ] [ 0.710343 0.648783 0.619879 ] [ 0.289657 0.351217 0.380121 ] [ 0.289657 0.648783 0.880121 ] [ 0.76534 0.104379 0.379783 ] [ 0.76534 0.895621 0.879783 ] [ 0.23466 0.895621 0.620217 ] [ 0 0.290125 0.25 ] [ 0 0.709875 0.75 ] [ 0.23466 0.104379 0.120217 ] [ 0.26534 0.604379 0.379783 ] [ 0.26534 0.395621 0.879783 ] [ 0.73466 0.395621 0.620217 ] [ 0.5 0.790125 0.25 ] [ 0.5 0.209875 0.75 ] [ 0.73466 0.604379 0.120217 ] [ 0.224883 0.830982 0.818752 ] [ 0.106101 0.358379 0.235668 ] [ 0.826921 0.002628 0.895539 ] [ 0.373844 0.902043 0.664228 ] [ 0.626156 0.902043 0.835772 ] [ 0.826921 0.997372 0.395539 ] [ 0.171412 0.163916 0.894729 ] [ 0.828588 0.836084 0.105271 ] [ 0.373844 0.097957 0.164228 ] [ 0.224883 0.169018 0.318752 ] [ 0.775117 0.169018 0.181248 ] [ 0.775117 0.830982 0.681248 ] [ 0.048196 0.2232 0.46917 ] [ 0.171412 0.836084 0.394729 ] [ 0.893899 0.641621 0.764332 ] [ 0.951804 0.2232 0.03083 ] [ 0.106101 0.641621 0.735668 ] [ 0.893899 0.358379 0.264332 ] [ 0.828588 0.163916 0.605271 ] [ 0.048196 0.7768 0.96917 ] [ 0.173079 0.002628 0.604461 ] [ 0.951804 0.7768 0.53083 ] [ 0.173079 0.997372 0.104461 ] [ 0.626156 0.097957 0.335772 ] [ 0.724883 0.330982 0.818752 ] [ 0.606101 0.858379 0.235668 ] [ 0.326921 0.502628 0.895539 ] [ 0.873844 0.402043 0.664228 ] [ 0.126156 0.402043 0.835772 ] [ 0.326921 0.497372 0.395539 ] [ 0.671412 0.663916 0.894729 ] [ 0.328588 0.336084 0.105271 ] [ 0.873844 0.597957 0.164228 ] [ 0.724883 0.669018 0.318752 ] [ 0.275117 0.669018 0.181248 ] [ 0.275117 0.330982 0.681248 ] [ 0.548196 0.7232 0.46917 ] [ 0.671412 0.336084 0.394729 ] [ 0.393899 0.141621 0.764332 ] [ 0.451804 0.7232 0.03083 ] [ 0.606101 0.141621 0.735668 ] [ 0.393899 0.858379 0.264332 ] [ 0.328588 0.663916 0.605271 ] [ 0.548196 0.2768 0.96917 ] [ 0.673079 0.502628 0.604461 ] [ 0.451804 0.2768 0.53083 ] [ 0.673079 0.497372 0.104461 ] [ 0.126156 0.597957 0.335772 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "P" "P" "P" "P" "P" "P" "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" "O" "O" "O" "O" "O" "O" "O" "O" "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" 11.72493827 "source-unit" "angstrom" } "b" { "source-value" 12.87434539 "source-unit" "angstrom" } "c" { "source-value" 6.40962395 "source-unit" "angstrom" } "beta" { "source-value" 112.89252493 "source-unit" "degree" } }