[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "AB_hR26_148_a2f_b2f" } "stoichiometric-species" { "source-value" [ "Al" "Pd" ] } "a" { "source-value" 15.617078 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.5617078e-09 } "parameter-names" { "source-value" [ "c/a" "x3" "y3" "z3" "x4" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" ] } "parameter-values" { "source-value" [ 0.33689439 0.59128861 0.55820406 0.84231858 0.10258095 0.25824941 0.66256315 0.089031721 0.056825565 0.34158944 0.60182033 0.75569386 0.16290914 ] } "library-prototype-label" { "source-value" "AB_hR26_148_b2f_a2f-001" } "short-name" { "source-value" [ "PdAl" ] } "binding-potential-energy-per-atom" { "source-value" -5.3631779800514146 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.592758443621694e-19 } "binding-potential-energy-per-formula" { "source-value" -10.726355960102829 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.718551688724339e-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" "AB_hR26_148_a2f_b2f" } "stoichiometric-species" { "source-value" [ "Al" "Pd" ] } "a" { "source-value" 15.617078 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.5617078e-09 } "parameter-names" { "source-value" [ "c/a" "x3" "y3" "z3" "x4" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" ] } "parameter-values" { "source-value" [ 0.33689439 0.59128861 0.55820406 0.84231858 0.10258095 0.25824941 0.66256315 0.089031721 0.056825565 0.34158944 0.60182033 0.75569386 0.16290914 ] } "library-prototype-label" { "source-value" "AB_hR26_148_b2f_a2f-001" } "short-name" { "source-value" [ "PdAl" ] } "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" } } ]