[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A_oC16_65_mn" } "stoichiometric-species" { "source-value" [ "C" ] } "a" { "source-value" 5.0987 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.0987e-10 } "parameter-names" { "source-value" [ "b/a" "c/a" "z1" "y2" "z2" ] } "parameter-values" { "source-value" [ 1.038147 0.89063879 0.17044017 0.85137456 0.67404445 ] } "binding-potential-energy-per-atom" { "source-value" -6.123667686193415 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.811197281199934e-19 } "binding-potential-energy-per-formula" { "source-value" -6.123667686193415 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.811197281199934e-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_oC16_65_mn" } "stoichiometric-species" { "source-value" [ "C" ] } "a" { "source-value" 5.0987 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.0987e-10 } "parameter-names" { "source-value" [ "b/a" "c/a" "z1" "y2" "z2" ] } "parameter-values" { "source-value" [ 1.038147 0.89063879 0.17044017 0.85137456 0.67404445 ] } "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" } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 3 "prototype-label" { "source-value" "A_oC16_65_mn" } "stoichiometric-species" { "source-value" [ "C" ] } "a" { "source-value" 5.0184 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.0184e-10 } "parameter-names" { "source-value" [ "b/a" "c/a" "z1" "y2" "z2" ] } "parameter-values" { "source-value" [ 1.0120756 1.3628049 0.11356293 0.15161101 0.77570951 ] } "binding-potential-energy-per-atom" { "source-value" -5.454995607418524 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.739866500778596e-19 } "binding-potential-energy-per-formula" { "source-value" -5.454995607418524 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.739866500778596e-19 } "coordinates-file" { "source-value" "instance-3.poscar" } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 4 "prototype-label" { "source-value" "A_oC16_65_mn" } "stoichiometric-species" { "source-value" [ "C" ] } "a" { "source-value" 5.0184 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.0184e-10 } "parameter-names" { "source-value" [ "b/a" "c/a" "z1" "y2" "z2" ] } "parameter-values" { "source-value" [ 1.0120756 1.3628049 0.11356293 0.15161101 0.77570951 ] } "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-4.poscar" } } ]