[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 1 "prototype-label" { "source-value" "A_oC8_65_gh" } "stoichiometric-species" { "source-value" [ "C" ] } "a" { "source-value" 8.581410967928102 "source-unit" "angstrom" "si-unit" "m" "si-value" 8.581410967928103e-10 } "parameter-names" { "source-value" [ "b/a" "c/a" "x1" "x2" ] } "parameter-values" { "source-value" [ 0.3191409581058105 0.32099242522400695 0.5921511472104166 0.6935371350083479 ] } "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_893776561221_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" "A_oC8_65_gh" } "stoichiometric-species" { "source-value" [ "C" ] } "a" { "source-value" 8.581410967928102 "source-unit" "angstrom" "si-unit" "m" "si-value" 8.581410967928103e-10 } "parameter-names" { "source-value" [ "b/a" "c/a" "x1" "x2" ] } "parameter-values" { "source-value" [ 0.3191409581058105 0.32099242522400695 0.5921511472104166 0.6935371350083479 ] } "crystal-genome-source-structure-id" { "source-value" [ [ "RD_893776561221_000" ] ] } "coordinates-file" { "source-value" "instance-2.poscar" } "coordinates-file-conventional" { "source-value" "conventional.instance-2.poscar" } "binding-potential-energy-per-atom" { "source-value" -5.5000710013397285 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.812085243687495e-19 } "binding-potential-energy-per-formula" { "source-value" -5.5000710013397285 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.812085243687495e-19 } } { "property-id" "tag:staff@noreply.openkim.org,2025-04-15:property/mass-density-crystal-npt" "instance-id" 3 "prototype-label" { "source-value" "A_oC8_65_gh" } "stoichiometric-species" { "source-value" [ "C" ] } "a" { "source-value" 8.581410967928102 "source-unit" "angstrom" "si-unit" "m" "si-value" 8.581410967928103e-10 } "parameter-names" { "source-value" [ "b/a" "c/a" "x1" "x2" ] } "parameter-values" { "source-value" [ 0.3191409581058105 0.32099242522400695 0.5921511472104166 0.6935371350083479 ] } "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_893776561221_000" ] ] } "coordinates-file" { "source-value" "instance-3.poscar" } "coordinates-file-conventional" { "source-value" "conventional.instance-3.poscar" } "mass-density" { "source-value" 1.4842796127660511 "source-unit" "amu/angstrom^3" "si-unit" "kg / m^3" "si-value" 2464.704282755948 } } ]