[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A2B_hP36_185_2cd_2c" } "stoichiometric-species" { "source-value" [ "H" "O" ] } "a" { "source-value" 9.0996 "source-unit" "angstrom" "si-unit" "m" "si-value" 9.099600000000001e-10 } "parameter-names" { "source-value" [ "c/a" "x1" "z1" "x2" "z2" "x3" "z3" "x4" "z4" "x5" "y5" "z5" ] } "parameter-values" { "source-value" [ 1.0049892 0.3412589 0.68133385 0.43596925 0.53007456 0.33050753 0.56968988 0.66492605 0.43003751 0.66924761 0.77261575 0.9694321 ] } "binding-potential-energy-per-atom" { "source-value" -3.4815643003995103 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.578080971868652e-19 } "binding-potential-energy-per-formula" { "source-value" -10.44469290119853 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.673424291560596e-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_hP36_185_2cd_2c" } "stoichiometric-species" { "source-value" [ "H" "O" ] } "a" { "source-value" 9.0996 "source-unit" "angstrom" "si-unit" "m" "si-value" 9.099600000000001e-10 } "parameter-names" { "source-value" [ "c/a" "x1" "z1" "x2" "z2" "x3" "z3" "x4" "z4" "x5" "y5" "z5" ] } "parameter-values" { "source-value" [ 1.0049892 0.3412589 0.68133385 0.43596925 0.53007456 0.33050753 0.56968988 0.66492605 0.43003751 0.66924761 0.77261575 0.9694321 ] } "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" } } ]