{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.766538 0.998312 0.73131 ] [ 0.26625 0.150675 0.891769 ] [ 0.233462 0.498312 0.26869 ] [ 0.73375 0.650675 0.108231 ] [ 0.755632 0.999155 0.258211 ] [ 0.244368 0.499155 0.741789 ] [ 0.793092 0.319983 0.977773 ] [ 0.697648 0.678767 0.525269 ] [ 0.206908 0.819983 0.022227 ] [ 0.302352 0.178767 0.474731 ] [ 0.029469 0.83518 0.188056 ] [ 0.288718 0.36395 0.507926 ] [ 0.199357 0.637796 0.969562 ] [ 0.107649 0.929393 0.855251 ] [ 0.994315 0.620706 0.56521 ] [ 0.800643 0.137796 0.030438 ] [ 0.005685 0.120706 0.43479 ] [ 0.49163 0.360876 0.911071 ] [ 0.892351 0.429393 0.144749 ] [ 0.43366 0.104008 0.661613 ] [ 0.711282 0.86395 0.492074 ] [ 0.56634 0.604008 0.338387 ] [ 0.550635 0.644074 0.700776 ] [ 0.50837 0.860876 0.088929 ] [ 0.449365 0.144074 0.299224 ] [ 0.970531 0.33518 0.811944 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cr" "Cr" "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" 5.03421784207 "source-unit" "angstrom" } "b" { "source-value" 8.33863118093 "source-unit" "angstrom" } "c" { "source-value" 7.00863759116 "source-unit" "angstrom" } "beta" { "source-value" 97.4195768233 "source-unit" "degree" } }