[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A_oC40_63_2cf3g" } "stoichiometric-species" { "source-value" [ "Ga" ] } "a" { "source-value" 10.4828 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.04828e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "y1" "y2" "y3" "z3" "x4" "y4" "x5" "y5" "x6" "y6" ] } "parameter-values" { "source-value" [ 1.3236826 0.51325982 0.99745168 0.21916113 0.39411984 0.98953529 0.28177464 0.94925548 0.62828498 0.29659011 0.7687388 0.13741271 ] } "binding-potential-energy-per-atom" { "source-value" -2.559616010800319 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.100956964516562e-19 } "binding-potential-energy-per-formula" { "source-value" -2.559616010800319 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.100956964516562e-19 } "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" "A_oC40_63_2cf3g" } "stoichiometric-species" { "source-value" [ "Ga" ] } "a" { "source-value" 10.4828 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.04828e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "y1" "y2" "y3" "z3" "x4" "y4" "x5" "y5" "x6" "y6" ] } "parameter-values" { "source-value" [ 1.3236826 0.51325982 0.99745168 0.21916113 0.39411984 0.98953529 0.28177464 0.94925548 0.62828498 0.29659011 0.7687388 0.13741271 ] } "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" } } ]