{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.170322 0.836392 0.564638 ] [ 0.170091 0 0.067435 ] [ 0.170322 0.163608 0.564638 ] [ 0.333887 0.83516 0.938026 ] [ 0.333887 0.16484 0.938026 ] [ 0 0.164924 0.5 ] [ 0 0.333367 0 ] [ 0 0.5 0.5 ] [ 0 0.666633 0 ] [ 0 0.835076 0.5 ] [ 0.666113 0.83516 0.061974 ] [ 0.666113 0.16484 0.061974 ] [ 0.829678 0.836392 0.435362 ] [ 0.829909 0 0.932565 ] [ 0.829678 0.163608 0.435362 ] [ 0.670322 0.336392 0.564638 ] [ 0.670091 0.5 0.067435 ] [ 0.670322 0.663608 0.564638 ] [ 0.833887 0.33516 0.938026 ] [ 0.833887 0.66484 0.938026 ] [ 0.5 0.664924 0.5 ] [ 0.5 0.833367 0 ] [ 0.5 0 0.5 ] [ 0.5 0.166633 0 ] [ 0.5 0.335076 0.5 ] [ 0.166113 0.33516 0.061974 ] [ 0.166113 0.66484 0.061974 ] [ 0.329678 0.336392 0.435362 ] [ 0.329909 0.5 0.932565 ] [ 0.329678 0.663608 0.435362 ] [ 0 0 0 ] [ 0.331813 0 0.441413 ] [ 0.668187 0 0.558587 ] [ 0.5 0.5 0 ] [ 0.831813 0.5 0.441413 ] [ 0.168187 0.5 0.558587 ] [ 0.089457 0 0.388157 ] [ 0.243451 0.825553 0.248638 ] [ 0.248242 0 0.775726 ] [ 0.243451 0.174447 0.248638 ] [ 0.910297 0.175821 0.142846 ] [ 0.923818 0.325572 0.649851 ] [ 0.417728 0 0.119923 ] [ 0.089703 0.175821 0.857154 ] [ 0.923818 0.674428 0.649851 ] [ 0.076182 0.325572 0.350149 ] [ 0.910297 0.824179 0.142846 ] [ 0.582272 0 0.880077 ] [ 0.076182 0.674428 0.350149 ] [ 0.089703 0.824179 0.857154 ] [ 0.756549 0.825553 0.751362 ] [ 0.751758 0 0.224274 ] [ 0.756549 0.174447 0.751362 ] [ 0.910543 0 0.611843 ] [ 0.589457 0.5 0.388157 ] [ 0.743451 0.325553 0.248638 ] [ 0.748242 0.5 0.775726 ] [ 0.743451 0.674447 0.248638 ] [ 0.410297 0.675821 0.142846 ] [ 0.423818 0.825572 0.649851 ] [ 0.917728 0.5 0.119923 ] [ 0.589703 0.675821 0.857154 ] [ 0.423818 0.174428 0.649851 ] [ 0.576182 0.825572 0.350149 ] [ 0.410297 0.324179 0.142846 ] [ 0.082272 0.5 0.880077 ] [ 0.576182 0.174428 0.350149 ] [ 0.589703 0.324179 0.857154 ] [ 0.256549 0.325553 0.751362 ] [ 0.251758 0.5 0.224274 ] [ 0.256549 0.674447 0.751362 ] [ 0.410543 0.5 0.611843 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 15.06250751 "source-unit" "angstrom" } "b" { "source-value" 8.75793358 "source-unit" "angstrom" } "c" { "source-value" 5.07572373 "source-unit" "angstrom" } "beta" { "source-value" 95.82212505 "source-unit" "degree" } }