[ { "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" 5.1761 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.1761e-10 } "parameter-names" { "source-value" [ "b/a" "c/a" "z1" "z2" "z3" "z4" "x5" "z5" "x6" "z6" ] } "parameter-values" { "source-value" [ 0.49073627 0.71167481 0.37245098 0.64264248 0.34303204 0.59412455 0.26057064 0.095804455 0.25293417 0.85537052 ] } "binding-potential-energy-per-atom" { "source-value" -8.04573507774517 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.289068874491749e-18 } "binding-potential-energy-per-formula" { "source-value" -64.36588062196137 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.031255099593399e-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" 5.1761 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.1761e-10 } "parameter-names" { "source-value" [ "b/a" "c/a" "z1" "z2" "z3" "z4" "x5" "z5" "x6" "z6" ] } "parameter-values" { "source-value" [ 0.49073627 0.71167481 0.37245098 0.64264248 0.34303204 0.59412455 0.26057064 0.095804455 0.25293417 0.85537052 ] } "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" } } ]