{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.115344 0 0.86261 ] [ 0.88379 0 0.127554 ] [ 0.499609 0 0.001259 ] [ 0.511899 0 0.515008 ] [ 0.615344 0.5 0.86261 ] [ 0.38379 0.5 0.127554 ] [ 0.999609 0.5 0.001259 ] [ 0.011899 0.5 0.515008 ] [ 0.251337 0.243156 0.492619 ] [ 0.251337 0.756844 0.492619 ] [ 0.751337 0.743156 0.492619 ] [ 0.751337 0.256844 0.492619 ] [ 0.235495 0 0.268161 ] [ 0.735495 0.5 0.268161 ] [ 0.011874 0.732629 0.266449 ] [ 0.011874 0.267371 0.266449 ] [ 0.747752 0 0.724238 ] [ 0.747252 0 0.258685 ] [ 0.256062 0 0.74666 ] [ 0.988106 0.734753 0.738827 ] [ 0.988106 0.265247 0.738827 ] [ 0.511874 0.232629 0.266449 ] [ 0.511874 0.767371 0.266449 ] [ 0.247752 0.5 0.724238 ] [ 0.247252 0.5 0.258685 ] [ 0.756062 0.5 0.74666 ] [ 0.488106 0.234753 0.738827 ] [ 0.488106 0.765247 0.738827 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ni" "Ni" "Ni" "Ni" "O" "O" "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" 10.21812652 "source-unit" "angstrom" } "b" { "source-value" 5.96555941 "source-unit" "angstrom" } "c" { "source-value" 5.87536328 "source-unit" "angstrom" } "beta" { "source-value" 124.23268124 "source-unit" "degree" } }