[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A_hP58_164_2d3i3j" } "stoichiometric-species" { "source-value" [ "Si" ] } "a" { "source-value" 9.884 "source-unit" "angstrom" "si-unit" "m" "si-value" 9.884e-10 } "parameter-names" { "source-value" [ "c/a" "z1" "z2" "x3" "z3" "x4" "z4" "x5" "z5" "x6" "y6" "z6" "x7" "y7" "z7" "x8" "y8" "z8" ] } "parameter-values" { "source-value" [ 1.6271044 0.42807402 0.57147559 0.13271021 0.4998822 0.20833689 0.62127199 0.20815244 0.37834969 0.61921426 0.99977305 0.29553117 0.75419285 0.74909237 0.1742457 0.58073394 0.9127376 0.057581543 ] } "binding-potential-energy-per-atom" { "source-value" -4.369520440545586 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.000743551627524e-19 } "binding-potential-energy-per-formula" { "source-value" -4.369520440545586 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.000743551627524e-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_hP58_164_2d3i3j" } "stoichiometric-species" { "source-value" [ "Si" ] } "a" { "source-value" 9.884 "source-unit" "angstrom" "si-unit" "m" "si-value" 9.884e-10 } "parameter-names" { "source-value" [ "c/a" "z1" "z2" "x3" "z3" "x4" "z4" "x5" "z5" "x6" "y6" "z6" "x7" "y7" "z7" "x8" "y8" "z8" ] } "parameter-values" { "source-value" [ 1.6271044 0.42807402 0.57147559 0.13271021 0.4998822 0.20833689 0.62127199 0.20815244 0.37834969 0.61921426 0.99977305 0.29553117 0.75419285 0.74909237 0.1742457 0.58073394 0.9127376 0.057581543 ] } "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" } } ]