[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "AB_hR14_160_7a_7a" } "stoichiometric-species" { "source-value" [ "C" "Si" ] } "a" { "source-value" 3.0829999 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.0829999e-10 } "parameter-names" { "source-value" [ "c/a" "x1" "x2" "x3" "x4" "x5" "x6" "x7" "x8" "x9" "x10" "x11" "x12" "x13" "x14" ] } "parameter-values" { "source-value" [ 17.146344 0.035729839 0.41668222 0.7976346 0.17858698 0.8928727 0.60715841 0.32144412 1.5552866e-05 0.38096793 0.76192031 0.1428727 0.85715841 0.57144412 0.28572984 ] } "binding-potential-energy-per-atom" { "source-value" -6.4119751184378355 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.027311671255048e-18 } "binding-potential-energy-per-formula" { "source-value" -12.823950236875671 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.054623342510096e-18 } "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" "AB_hR14_160_7a_7a" } "stoichiometric-species" { "source-value" [ "C" "Si" ] } "a" { "source-value" 3.0829999 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.0829999e-10 } "parameter-names" { "source-value" [ "c/a" "x1" "x2" "x3" "x4" "x5" "x6" "x7" "x8" "x9" "x10" "x11" "x12" "x13" "x14" ] } "parameter-values" { "source-value" [ 17.146344 0.035729839 0.41668222 0.7976346 0.17858698 0.8928727 0.60715841 0.32144412 1.5552866e-05 0.38096793 0.76192031 0.1428727 0.85715841 0.57144412 0.28572984 ] } "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" } } ]