[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A_mC164_15_e20f" } "stoichiometric-species" { "source-value" [ "Si" ] } "a" { "source-value" 45.375 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.5375e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "y1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" "x7" "y7" "z7" "x8" "y8" "z8" "x9" "y9" "z9" "x10" "y10" "z10" "x11" "y11" "z11" "x12" "y12" "z12" "x13" "y13" "z13" "x14" "y14" "z14" "x15" "y15" "z15" "x16" "y16" "z16" "x17" "y17" "z17" "x18" "y18" "z18" "x19" "y19" "z19" "x20" "y20" "z20" "x21" "y21" "z21" ] } "parameter-values" { "source-value" [ 0.67164298 0.45926171 79.5091 0.7201509 0.67695591 0.93118511 0.6643387 0.55439279 0.095075951 0.63874837 0.7506158 0.85548974 0.43645677 0.25210754 0.78576101 0.76059785 0.15903105 0.073961801 0.43437567 0.90810368 0.91236816 0.95396824 0.68410677 0.75494803 0.040129195 0.60554667 0.28368805 0.77754509 0.65283705 0.89006601 0.29185573 0.55496741 0.95236846 0.83092774 0.87839965 0.10164531 0.75574834 0.669197 0.94473173 0.9608454 0.45729724 0.45356874 0.66562165 0.55740175 0.10106027 0.018332914 0.36574866 0.24332591 0.44807055 0.52341605 0.38109321 0.097460134 0.39082035 0.77392406 0.64314377 0.79405004 0.049680311 0.34334351 0.22872755 0.095168219 0.87185605 0.51120098 0.25429506 0.58982067 ] } "binding-potential-energy-per-atom" { "source-value" -21.42410739288925 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.432520426919382e-18 } "binding-potential-energy-per-formula" { "source-value" -21.42410739288925 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.432520426919382e-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" "A_mC164_15_e20f" } "stoichiometric-species" { "source-value" [ "Si" ] } "a" { "source-value" 45.375 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.5375e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "y1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" "x7" "y7" "z7" "x8" "y8" "z8" "x9" "y9" "z9" "x10" "y10" "z10" "x11" "y11" "z11" "x12" "y12" "z12" "x13" "y13" "z13" "x14" "y14" "z14" "x15" "y15" "z15" "x16" "y16" "z16" "x17" "y17" "z17" "x18" "y18" "z18" "x19" "y19" "z19" "x20" "y20" "z20" "x21" "y21" "z21" ] } "parameter-values" { "source-value" [ 0.67164298 0.45926171 79.5091 0.7201509 0.67695591 0.93118511 0.6643387 0.55439279 0.095075951 0.63874837 0.7506158 0.85548974 0.43645677 0.25210754 0.78576101 0.76059785 0.15903105 0.073961801 0.43437567 0.90810368 0.91236816 0.95396824 0.68410677 0.75494803 0.040129195 0.60554667 0.28368805 0.77754509 0.65283705 0.89006601 0.29185573 0.55496741 0.95236846 0.83092774 0.87839965 0.10164531 0.75574834 0.669197 0.94473173 0.9608454 0.45729724 0.45356874 0.66562165 0.55740175 0.10106027 0.018332914 0.36574866 0.24332591 0.44807055 0.52341605 0.38109321 0.097460134 0.39082035 0.77392406 0.64314377 0.79405004 0.049680311 0.34334351 0.22872755 0.095168219 0.87185605 0.51120098 0.25429506 0.58982067 ] } "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" } } ]