[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A_mC16_12_4i" } "stoichiometric-species" { "source-value" [ "Si" ] } "a" { "source-value" 13.8764 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.38764e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "x1" "z1" "x2" "z2" "x3" "z3" "x4" "z4" ] } "parameter-values" { "source-value" [ 0.27906373 0.46234614 83.6712 0.054567808 0.1308826 0.5572969 0.34657575 0.2125295 0.94160655 0.72375861 0.42011793 ] } "library-prototype-label" { "source-value" "A_mC16_12_4i-001" } "short-name" { "source-value" [ "M-carbon" ] } "binding-potential-energy-per-atom" { "source-value" -4.543475641089603 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.279450509301932e-19 } "binding-potential-energy-per-formula" { "source-value" -4.543475641089603 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.279450509301932e-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_mC16_12_4i" } "stoichiometric-species" { "source-value" [ "Si" ] } "a" { "source-value" 13.8764 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.38764e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "x1" "z1" "x2" "z2" "x3" "z3" "x4" "z4" ] } "parameter-values" { "source-value" [ 0.27906373 0.46234614 83.6712 0.054567808 0.1308826 0.5572969 0.34657575 0.2125295 0.94160655 0.72375861 0.42011793 ] } "library-prototype-label" { "source-value" "A_mC16_12_4i-001" } "short-name" { "source-value" [ "M-carbon" ] } "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" } } ]