[ { "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" 4.8975 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.8975e-10 } "parameter-names" { "source-value" [ "b/a" "c/a" "z1" "y2" "z2" ] } "parameter-values" { "source-value" [ 1.0792445 0.9134048 0.16534748 0.8476439 0.67802395 ] } "binding-potential-energy-per-atom" { "source-value" -7.050006449644782 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.129535560317017e-18 } "binding-potential-energy-per-formula" { "source-value" -7.050006449644782 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.129535560317017e-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" "A_oC16_65_mn" } "stoichiometric-species" { "source-value" [ "C" ] } "a" { "source-value" 4.8975 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.8975e-10 } "parameter-names" { "source-value" [ "b/a" "c/a" "z1" "y2" "z2" ] } "parameter-values" { "source-value" [ 1.0792445 0.9134048 0.16534748 0.8476439 0.67802395 ] } "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" 4.8573 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.8573e-10 } "parameter-names" { "source-value" [ "b/a" "c/a" "z1" "y2" "z2" ] } "parameter-values" { "source-value" [ 1.0869413 1.3995224 0.10916704 0.14176719 0.79465637 ] } "binding-potential-energy-per-atom" { "source-value" -6.87239377868856 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.101078873186178e-18 } "binding-potential-energy-per-formula" { "source-value" -6.87239377868856 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.101078873186178e-18 } "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" 4.8573 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.8573e-10 } "parameter-names" { "source-value" [ "b/a" "c/a" "z1" "y2" "z2" ] } "parameter-values" { "source-value" [ 1.0869413 1.3995224 0.10916704 0.14176719 0.79465637 ] } "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" } } ]