[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A3B4C_mC32_12_3i_g3i_i" } "stoichiometric-species" { "source-value" [ "Cs" "F" "Li" ] } "a" { "source-value" 13.9822 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.39822e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "y1" "x2" "z2" "x3" "z3" "x4" "z4" "x5" "z5" "x6" "z6" "x7" "z7" "x8" "z8" ] } "parameter-values" { "source-value" [ 0.43701277 0.75374405 105.4016 0.78331755 0.59037597 0.7129245 0.865672 0.58334292 0.32170595 0.87134034 0.81658746 0.93816246 0.6385998 0.42882424 0.087317167 0.76278466 0.93686294 0.070813834 ] } "binding-potential-energy-per-atom" { "source-value" -4.300050217054053 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.889439982790631e-19 } "binding-potential-energy-per-formula" { "source-value" -34.40040173643242 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.511551986232505e-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" "A3B4C_mC32_12_3i_g3i_i" } "stoichiometric-species" { "source-value" [ "Cs" "F" "Li" ] } "a" { "source-value" 13.9822 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.39822e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "y1" "x2" "z2" "x3" "z3" "x4" "z4" "x5" "z5" "x6" "z6" "x7" "z7" "x8" "z8" ] } "parameter-values" { "source-value" [ 0.43701277 0.75374405 105.4016 0.78331755 0.59037597 0.7129245 0.865672 0.58334292 0.32170595 0.87134034 0.81658746 0.93816246 0.6385998 0.42882424 0.087317167 0.76278466 0.93686294 0.070813834 ] } "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" } } ]