[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "AB4C3_mP16_6_2a_3a5b_3a3b" } "stoichiometric-species" { "source-value" [ "Cs" "I" "Li" ] } "a" { "source-value" 11.6359 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.16359e-09 } "binding-potential-energy-per-atom" { "source-value" -2.4594078586776034 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.94040580464923e-19 } "binding-potential-energy-per-formula" { "source-value" -19.675262869420827 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.152324643719384e-18 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "x1" "z1" "x2" "z2" "x3" "z3" "x4" "z4" "x5" "z5" "x6" "z6" "x7" "z7" "x8" "z8" "x9" "z9" "x10" "z10" "x11" "z11" "x12" "z12" "x13" "z13" "x14" "z14" "x15" "z15" "x16" "z16" ] } "parameter-values" { "source-value" [ 0.40109489 1.0446119 86.5339 0.83937047 0.13548387 0.75292477 0.63722425 0.24962968 0.32958035 0.40948916 0.90142115 0.098755211 0.68478822 0.23659541 0.088383322 0.027279222 0.45631234 0.35484709 0.66592175 0.88300579 0.40725134 0.087824497 0.054458675 0.58472891 0.20578267 0.77958601 0.87858327 0.4963575 0.58827069 0.39158351 0.37428779 0.5398305 0.97064714 0.029952291 0.82154317 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "AB4C3_mP16_6_2a_3a5b_3a3b" } "stoichiometric-species" { "source-value" [ "Cs" "I" "Li" ] } "a" { "source-value" 11.6359 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.16359e-09 } "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 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "x1" "z1" "x2" "z2" "x3" "z3" "x4" "z4" "x5" "z5" "x6" "z6" "x7" "z7" "x8" "z8" "x9" "z9" "x10" "z10" "x11" "z11" "x12" "z12" "x13" "z13" "x14" "z14" "x15" "z15" "x16" "z16" ] } "parameter-values" { "source-value" [ 0.40109489 1.0446119 86.5339 0.83937047 0.13548387 0.75292477 0.63722425 0.24962968 0.32958035 0.40948916 0.90142115 0.098755211 0.68478822 0.23659541 0.088383322 0.027279222 0.45631234 0.35484709 0.66592175 0.88300579 0.40725134 0.087824497 0.054458675 0.58472891 0.20578267 0.77958601 0.87858327 0.4963575 0.58827069 0.39158351 0.37428779 0.5398305 0.97064714 0.029952291 0.82154317 ] } } ]