[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "AB_hP12_186_a2b_a2b" } "stoichiometric-species" { "source-value" [ "C" "Si" ] } "a" { "source-value" 3.5429 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.5429e-10 } "parameter-names" { "source-value" [ "c/a" "z1" "z2" "z3" "z4" "z5" "z6" ] } "parameter-values" { "source-value" [ 4.1523328 0.1572045 0.018701651 0.77596054 0.47443039 0.6261102 0.32325271 ] } "binding-potential-energy-per-atom" { "source-value" -6.773294901762783 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.085201482679565e-18 } "binding-potential-energy-per-formula" { "source-value" -13.546589803525565 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.170402965359131e-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" "AB_hP12_186_a2b_a2b" } "stoichiometric-species" { "source-value" [ "C" "Si" ] } "a" { "source-value" 3.5429 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.5429e-10 } "parameter-names" { "source-value" [ "c/a" "z1" "z2" "z3" "z4" "z5" "z6" ] } "parameter-values" { "source-value" [ 4.1523328 0.1572045 0.018701651 0.77596054 0.47443039 0.6261102 0.32325271 ] } "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" } } ]