[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A2B_mP12_10_2mo_im" } "stoichiometric-species" { "source-value" [ "O" "V" ] } "a" { "source-value" 4.0298 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.0298e-10 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "y1" "x2" "z2" "x3" "z3" "x4" "z4" "x5" "y5" "z5" ] } "parameter-values" { "source-value" [ 1.6663358 1.3095439 80.5061 0.70376661 0.83845197 0.3418821 0.12826548 0.90708761 0.35368345 0.26090063 0.47205513 0.40203538 0.12507333 ] } "binding-potential-energy-per-atom" { "source-value" -16.93267861674264 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.712914203077649e-18 } "binding-potential-energy-per-formula" { "source-value" -50.79803585022792 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.138742609232948e-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" "A2B_mP12_10_2mo_im" } "stoichiometric-species" { "source-value" [ "O" "V" ] } "a" { "source-value" 4.0298 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.0298e-10 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "y1" "x2" "z2" "x3" "z3" "x4" "z4" "x5" "y5" "z5" ] } "parameter-values" { "source-value" [ 1.6663358 1.3095439 80.5061 0.70376661 0.83845197 0.3418821 0.12826548 0.90708761 0.35368345 0.26090063 0.47205513 0.40203538 0.12507333 ] } "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" } } ]