[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A13B6_mC38_12_a6i_3i" } "stoichiometric-species" { "source-value" [ "O" "V" ] } "a" { "source-value" 12.6293 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.26293e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "x2" "z2" "x3" "z3" "x4" "z4" "x5" "z5" "x6" "z6" "x7" "z7" "x8" "z8" "x9" "z9" "x10" "z10" ] } "parameter-values" { "source-value" [ 0.26611926 1.1924651 138.2293 0.26435617 0.9595432 0.27893443 0.21046162 0.035547366 0.1643488 0.64024564 0.36564329 0.027457853 0.36590749 0.37337685 0.43432824 0.16433389 0.029500955 0.46467079 0.36888475 0.15779291 0.32822013 ] } "binding-potential-energy-per-atom" { "source-value" -6.352816698350782 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.017833447418265e-18 } "binding-potential-energy-per-formula" { "source-value" -120.70351726866487 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.933883550094703e-17 } "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" "A13B6_mC38_12_a6i_3i" } "stoichiometric-species" { "source-value" [ "O" "V" ] } "a" { "source-value" 12.6293 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.26293e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "x2" "z2" "x3" "z3" "x4" "z4" "x5" "z5" "x6" "z6" "x7" "z7" "x8" "z8" "x9" "z9" "x10" "z10" ] } "parameter-values" { "source-value" [ 0.26611926 1.1924651 138.2293 0.26435617 0.9595432 0.27893443 0.21046162 0.035547366 0.1643488 0.64024564 0.36564329 0.027457853 0.36590749 0.37337685 0.43432824 0.16433389 0.029500955 0.46467079 0.36888475 0.15779291 0.32822013 ] } "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" } } ]