[ { "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" 4.7689 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.768900000000001e-10 } "parameter-names" { "source-value" [ "b/a" "c/a" "z1" "y2" "z2" ] } "parameter-values" { "source-value" [ 1.13479 0.92329468 0.16591816 0.85385286 0.67743339 ] } "binding-potential-energy-per-atom" { "source-value" -7.2190701879803045 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.156622557438803e-18 } "binding-potential-energy-per-formula" { "source-value" -7.2190701879803045 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.156622557438803e-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" 4.7689 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.768900000000001e-10 } "parameter-names" { "source-value" [ "b/a" "c/a" "z1" "y2" "z2" ] } "parameter-values" { "source-value" [ 1.13479 0.92329468 0.16591816 0.85385286 0.67743339 ] } "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" 4.8286 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.8286e-10 } "parameter-names" { "source-value" [ "b/a" "c/a" "z1" "y2" "z2" ] } "parameter-values" { "source-value" [ 1.1459222 1.400758 0.11017738 0.13244777 0.81429295 ] } "binding-potential-energy-per-atom" { "source-value" -6.996202640646452 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.120915239757284e-18 } "binding-potential-energy-per-formula" { "source-value" -6.996202640646452 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.120915239757284e-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" 4.8286 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.8286e-10 } "parameter-names" { "source-value" [ "b/a" "c/a" "z1" "y2" "z2" ] } "parameter-values" { "source-value" [ 1.1459222 1.400758 0.11017738 0.13244777 0.81429295 ] } "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" } } ]