[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 1 "prototype-label" { "source-value" "AB_cF8_225_a_b" } "stoichiometric-species" { "source-value" [ "C" "Si" ] } "a" { "source-value" 4.088090430026352 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.088090430026352e-10 } "short-name" { "source-value" [ "Rock Salt/Halite (NaCl, $B1$) Structure" ] } "library-prototype-label" { "source-value" "AB_cF8_225_a_b-001" } "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 } "crystal-genome-source-structure-id" { "source-value" [ [ "RD_768729354701_000" ] ] } "coordinates-file" { "source-value" "instance-1.poscar" } "coordinates-file-conventional" { "source-value" "conventional.instance-1.poscar" } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 2 "prototype-label" { "source-value" "AB_cF8_225_a_b" } "stoichiometric-species" { "source-value" [ "C" "Si" ] } "a" { "source-value" 4.088090430026352 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.088090430026352e-10 } "short-name" { "source-value" [ "Rock Salt/Halite (NaCl, $B1$) Structure" ] } "library-prototype-label" { "source-value" "AB_cF8_225_a_b-001" } "crystal-genome-source-structure-id" { "source-value" [ [ "RD_768729354701_000" ] ] } "coordinates-file" { "source-value" "instance-2.poscar" } "coordinates-file-conventional" { "source-value" "conventional.instance-2.poscar" } "binding-potential-energy-per-atom" { "source-value" -5.989804893194434 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.596725442094988e-19 } "binding-potential-energy-per-formula" { "source-value" -11.979609786388869 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.919345088418998e-18 } } { "property-id" "tag:staff@noreply.openkim.org,2025-04-15:property/mass-density-crystal-npt" "instance-id" 3 "prototype-label" { "source-value" "AB_cF8_225_a_b" } "stoichiometric-species" { "source-value" [ "C" "Si" ] } "a" { "source-value" 4.088090430026352 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.088090430026352e-10 } "short-name" { "source-value" [ "Rock Salt/Halite (NaCl, $B1$) Structure" ] } "library-prototype-label" { "source-value" "AB_cF8_225_a_b-001" } "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 } "crystal-genome-source-structure-id" { "source-value" [ [ "RD_768729354701_000" ] ] } "coordinates-file" { "source-value" "instance-3.poscar" } "coordinates-file-conventional" { "source-value" "conventional.instance-3.poscar" } "mass-density" { "source-value" 2.3474673399743597 "source-unit" "amu/angstrom^3" "si-unit" "kg / m^3" "si-value" 3898.061225595008 } } ]