[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A_tP106_137_a5g4h" } "stoichiometric-species" { "source-value" [ "Si" ] } "a" { "source-value" 10.0071 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.00071e-09 } "parameter-names" { "source-value" [ "c/a" "y2" "z2" "y3" "z3" "y4" "z4" "y5" "z5" "y6" "z6" "x7" "y7" "z7" "x8" "y8" "z8" "x9" "y9" "z9" "x10" "y10" "z10" ] } "parameter-values" { "source-value" [ 2.4399976 0.93941223 0.19427923 0.87328844 0.10088123 0.13069105 0.77421266 0.98682012 0.85153013 0.12630705 0.92778043 0.432684 0.064321614 0.72072803 0.453545 0.86858582 0.86018489 0.57787187 0.98147655 0.92904969 0.44276825 0.12999875 0.98313697 ] } "binding-potential-energy-per-atom" { "source-value" -4.426656257620608 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.092285222709622e-19 } "binding-potential-energy-per-formula" { "source-value" -4.426656257620608 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.092285222709622e-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_tP106_137_a5g4h" } "stoichiometric-species" { "source-value" [ "Si" ] } "a" { "source-value" 10.0071 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.00071e-09 } "parameter-names" { "source-value" [ "c/a" "y2" "z2" "y3" "z3" "y4" "z4" "y5" "z5" "y6" "z6" "x7" "y7" "z7" "x8" "y8" "z8" "x9" "y9" "z9" "x10" "y10" "z10" ] } "parameter-values" { "source-value" [ 2.4399976 0.93941223 0.19427923 0.87328844 0.10088123 0.13069105 0.77421266 0.98682012 0.85153013 0.12630705 0.92778043 0.432684 0.064321614 0.72072803 0.453545 0.86858582 0.86018489 0.57787187 0.98147655 0.92904969 0.44276825 0.12999875 0.98313697 ] } "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" } } ]