[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "AB_hP32_186_3a5b_3a5b" } "stoichiometric-species" { "source-value" [ "C" "Si" ] } "a" { "source-value" 2.1308 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.1308e-10 } "parameter-names" { "source-value" [ "c/a" "z1" "z2" "z3" "z4" "z5" "z6" "z7" "z8" "z9" "z10" "z11" "z12" "z13" "z14" "z15" "z16" ] } "parameter-values" { "source-value" [ 20.053454 0.13641628 0.25763164 0.42373045 0.070192695 0.20831638 0.32977514 0.10083602 0.61862818 0.23913971 0.86109596 0.48682803 0.95508155 0.52864872 0.16704364 0.78844451 0.39240991 ] } "binding-potential-energy-per-atom" { "source-value" -28.38226146615239 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.547339614114794e-18 } "binding-potential-energy-per-formula" { "source-value" -56.76452293230478 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.094679228229588e-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_hP32_186_3a5b_3a5b" } "stoichiometric-species" { "source-value" [ "C" "Si" ] } "a" { "source-value" 2.1308 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.1308e-10 } "parameter-names" { "source-value" [ "c/a" "z1" "z2" "z3" "z4" "z5" "z6" "z7" "z8" "z9" "z10" "z11" "z12" "z13" "z14" "z15" "z16" ] } "parameter-values" { "source-value" [ 20.053454 0.13641628 0.25763164 0.42373045 0.070192695 0.20831638 0.32977514 0.10083602 0.61862818 0.23913971 0.86109596 0.48682803 0.95508155 0.52864872 0.16704364 0.78844451 0.39240991 ] } "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" } } ]