[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "AB7_oP8_25_a_bcdef" } "stoichiometric-species" { "source-value" [ "B" "C" ] } "a" { "source-value" 4.8975 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.8975e-10 } "parameter-names" { "source-value" [ "b/a" "c/a" "z1" "z2" "z3" "z4" "x5" "z5" "x6" "z6" ] } "parameter-values" { "source-value" [ 0.30721797 0.53100562 0.56738012 0.066403977 0.89874066 0.39669177 0.25335514 0.22894546 0.256738 0.73374628 ] } "binding-potential-energy-per-atom" { "source-value" -47.88402175683141 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.67186608007429e-18 } "binding-potential-energy-per-formula" { "source-value" -383.07217405465127 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.137492864059432e-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" "AB7_oP8_25_a_bcdef" } "stoichiometric-species" { "source-value" [ "B" "C" ] } "a" { "source-value" 4.8975 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.8975e-10 } "parameter-names" { "source-value" [ "b/a" "c/a" "z1" "z2" "z3" "z4" "x5" "z5" "x6" "z6" ] } "parameter-values" { "source-value" [ 0.30721797 0.53100562 0.56738012 0.066403977 0.89874066 0.39669177 0.25335514 0.22894546 0.256738 0.73374628 ] } "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" } } ]