[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A4B9_mC26_12_2i_a4i" } "stoichiometric-species" { "source-value" [ "Al" "Li" ] } "a" { "source-value" 16.6726 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.66726e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "x2" "z2" "x3" "z3" "x4" "z4" "x5" "z5" "x6" "z6" "x7" "z7" ] } "parameter-values" { "source-value" [ 0.28396891 0.96887108 156.0344 0.11323246 0.28814496 0.52652833 0.92928077 0.43498084 0.52617747 0.85539307 0.15670339 0.34335486 0.63342152 0.21410673 0.72361797 ] } "binding-potential-energy-per-atom" { "source-value" -2.2585999129058196 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.618676006012139e-19 } "binding-potential-energy-per-formula" { "source-value" -29.361798867775654 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.70427880781578e-18 } "coordinates-file" { "source-value" "instance-1.poscar" } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "A4B9_mC26_12_2i_a4i" } "stoichiometric-species" { "source-value" [ "Al" "Li" ] } "a" { "source-value" 16.6726 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.66726e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "x2" "z2" "x3" "z3" "x4" "z4" "x5" "z5" "x6" "z6" "x7" "z7" ] } "parameter-values" { "source-value" [ 0.28396891 0.96887108 156.0344 0.11323246 0.28814496 0.52652833 0.92928077 0.43498084 0.52617747 0.85539307 0.15670339 0.34335486 0.63342152 0.21410673 0.72361797 ] } "cell-cauchy-stress" { "source-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] "source-unit" "eV/angstrom^3" "si-unit" "kg / m s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] } "temperature" { "source-value" 0.0 "source-unit" "K" "si-unit" "K" "si-value" 0.0 } "coordinates-file" { "source-value" "instance-2.poscar" } } ]