[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 1 "prototype-label" { "source-value" "A_tI2_139_a" } "stoichiometric-species" { "source-value" [ "Ga" ] } "a" { "source-value" 2.748871589390364 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.748871589390364e-10 } "parameter-names" { "source-value" [ "c/a" ] } "parameter-values" { "source-value" [ 1.5001039592478467 ] } "short-name" { "source-value" [ "In ($A6$) Structure" ] } "library-prototype-label" { "source-value" "A_tI2_139_a-001" } "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 } "crystal-genome-source-structure-id" { "source-value" [ [ "RD_168359219569_000" ] ] } "coordinates-file" { "source-value" "instance-1.poscar" } "coordinates-file-conventional" { "source-value" "conventional.instance-1.poscar" } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 2 "prototype-label" { "source-value" "A_tI2_139_a" } "stoichiometric-species" { "source-value" [ "Ga" ] } "a" { "source-value" 2.748871589390364 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.748871589390364e-10 } "parameter-names" { "source-value" [ "c/a" ] } "parameter-values" { "source-value" [ 1.5001039592478467 ] } "short-name" { "source-value" [ "In ($A6$) Structure" ] } "library-prototype-label" { "source-value" "A_tI2_139_a-001" } "crystal-genome-source-structure-id" { "source-value" [ [ "RD_168359219569_000" ] ] } "coordinates-file" { "source-value" "instance-2.poscar" } "coordinates-file-conventional" { "source-value" "conventional.instance-2.poscar" } "binding-potential-energy-per-atom" { "source-value" -2.677339094098748 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.289570137859741e-19 } "binding-potential-energy-per-formula" { "source-value" -2.677339094098748 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.289570137859741e-19 } } { "property-id" "tag:staff@noreply.openkim.org,2025-04-15:property/mass-density-crystal-npt" "instance-id" 3 "prototype-label" { "source-value" "A_tI2_139_a" } "stoichiometric-species" { "source-value" [ "Ga" ] } "a" { "source-value" 2.748871589390364 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.748871589390364e-10 } "parameter-names" { "source-value" [ "c/a" ] } "parameter-values" { "source-value" [ 1.5001039592478467 ] } "short-name" { "source-value" [ "In ($A6$) Structure" ] } "library-prototype-label" { "source-value" "A_tI2_139_a-001" } "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 } "crystal-genome-source-structure-id" { "source-value" [ [ "RD_168359219569_000" ] ] } "coordinates-file" { "source-value" "instance-3.poscar" } "coordinates-file-conventional" { "source-value" "conventional.instance-3.poscar" } "mass-density" { "source-value" 4.475291676270224 "source-unit" "amu/angstrom^3" "si-unit" "kg / m^3" "si-value" 7431.396662876507 } } ]