[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A_mC16_12_4i" } "stoichiometric-species" { "source-value" [ "Si" ] } "a" { "source-value" 13.8197 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.38197e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "x1" "z1" "x2" "z2" "x3" "z3" "x4" "z4" ] } "parameter-values" { "source-value" [ 0.28050537 0.45554534 83.6448 0.055449748 0.12913449 0.55802644 0.34531749 0.2127343 0.94547168 0.72530484 0.41766467 ] } "library-prototype-label" { "source-value" "A_mC16_12_4i-001" } "short-name" { "source-value" [ "M-carbon" ] } "binding-potential-energy-per-atom" { "source-value" -4.501825222486828 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.212719181820247e-19 } "binding-potential-energy-per-formula" { "source-value" -4.501825222486828 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.212719181820247e-19 } "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" "A_mC16_12_4i" } "stoichiometric-species" { "source-value" [ "Si" ] } "a" { "source-value" 13.8197 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.38197e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "x1" "z1" "x2" "z2" "x3" "z3" "x4" "z4" ] } "parameter-values" { "source-value" [ 0.28050537 0.45554534 83.6448 0.055449748 0.12913449 0.55802644 0.34531749 0.2127343 0.94547168 0.72530484 0.41766467 ] } "library-prototype-label" { "source-value" "A_mC16_12_4i-001" } "short-name" { "source-value" [ "M-carbon" ] } "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" } } ]