[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A24B5_cI58_217_2g_ac" } "stoichiometric-species" { "source-value" [ "Mg" "Y" ] } "a" { "source-value" 11.2003 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.12003e-09 } "parameter-names" { "source-value" [ "x2" "x3" "z3" "x4" "z4" ] } "parameter-values" { "source-value" [ 0.31272484 0.14124718 0.53754747 0.40840544 0.78166645 ] } "binding-potential-energy-per-atom" { "source-value" -2.0933404533773468 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.353901161408151e-19 } "binding-potential-energy-per-formula" { "source-value" -60.70687314794306 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.726313368083639e-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" "A24B5_cI58_217_2g_ac" } "stoichiometric-species" { "source-value" [ "Mg" "Y" ] } "a" { "source-value" 11.2003 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.12003e-09 } "parameter-names" { "source-value" [ "x2" "x3" "z3" "x4" "z4" ] } "parameter-values" { "source-value" [ 0.31272484 0.14124718 0.53754747 0.40840544 0.78166645 ] } "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" } } ]