[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A_hR60_166_2h4i" } "stoichiometric-species" { "source-value" [ "C" ] } "a" { "source-value" 10.166473 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.0166473e-09 } "parameter-names" { "source-value" [ "c/a" "x1" "z1" "x2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" ] } "parameter-values" { "source-value" [ 2.589915 0.74902737 0.06899881 0.76502469 0.19980919 0.97341474 0.41689614 0.14478654 0.95933688 0.44709923 0.28955227 0.61738022 0.87206618 0.30613289 0.79180122 0.63391608 0.47807243 ] } "binding-potential-energy-per-atom" { "source-value" -5.259343971006194 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.426398020514897e-19 } "binding-potential-energy-per-formula" { "source-value" -5.259343971006194 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.426398020514897e-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_hR60_166_2h4i" } "stoichiometric-species" { "source-value" [ "C" ] } "a" { "source-value" 10.166473 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.0166473e-09 } "parameter-names" { "source-value" [ "c/a" "x1" "z1" "x2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" ] } "parameter-values" { "source-value" [ 2.589915 0.74902737 0.06899881 0.76502469 0.19980919 0.97341474 0.41689614 0.14478654 0.95933688 0.44709923 0.28955227 0.61738022 0.87206618 0.30613289 0.79180122 0.63391608 0.47807243 ] } "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" } } ]