{ "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 0.099059 0.5 ] [ 0.5 0.003423 0.5 ] [ 0.5 0.101438 0 ] [ 0 0.793254 0 ] [ 0.5 0.599059 0.5 ] [ 0 0.503423 0.5 ] [ 0 0.601438 0 ] [ 0.5 0.293254 0 ] [ 0.5 0.187194 0.5 ] [ 0 0.996537 0 ] [ 0 0.687194 0.5 ] [ 0.5 0.496537 0 ] [ 0 0.902362 0.5 ] [ 0.5 0.798569 0.5 ] [ 0 0.197058 0 ] [ 0.5 0.902476 0 ] [ 0.5 0.402362 0.5 ] [ 0 0.298569 0.5 ] [ 0.5 0.697058 0 ] [ 0 0.402476 0 ] [ 0.740582 0.100911 0.741773 ] [ 0.758822 0.911318 0.762972 ] [ 0.276265 0.199919 0.723445 ] [ 0.723735 0.199919 0.276555 ] [ 0.240973 0.793881 0.73946 ] [ 0.220384 0.003285 0.778428 ] [ 0.259418 0.100911 0.258227 ] [ 0.779616 0.003285 0.221572 ] [ 0.759027 0.793881 0.26054 ] [ 0.241178 0.911318 0.237028 ] [ 0.240582 0.600911 0.741773 ] [ 0.258822 0.411318 0.762972 ] [ 0.776265 0.699919 0.723445 ] [ 0.223735 0.699919 0.276555 ] [ 0.740973 0.293881 0.73946 ] [ 0.720384 0.503285 0.778428 ] [ 0.759418 0.600911 0.258227 ] [ 0.279616 0.503285 0.221572 ] [ 0.259027 0.293881 0.26054 ] [ 0.741178 0.411318 0.237028 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ti" "Ti" "Ti" "Ti" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "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" 5.30964151 "source-unit" "angstrom" } "b" { "source-value" 15.20561485 "source-unit" "angstrom" } "c" { "source-value" 5.33009533 "source-unit" "angstrom" } "beta" { "source-value" 110.41483141 "source-unit" "degree" } }