[ { "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" 25.6654 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.56654e-09 } "binding-potential-energy-per-atom" { "source-value" -2.0912158214301395 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.350497125746486e-19 } "binding-potential-energy-per-formula" { "source-value" -2.0912158214301395 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.350497125746486e-19 } "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" [ 0.59219026 0.39188168 85.9226 0.5009316 0.3045939 0.093186271 0.23213146 0.36038681 0.043616775 0.39205758 0.36633845 0.91170099 0.2619176 0.33002978 0.78726269 0.38011638 0.55134054 0.89657788 0.36192949 0.43356439 0.61109929 0.50838719 0.39416468 0.67721652 0.32308249 0.52415255 0.65303513 0.50457138 0.46276156 0.74418407 0.18708955 0.76678824 0.87905196 0.40375235 0.44637931 0.097392605 0.39850417 0.32406522 0.22542611 0.11962547 0.74473164 0.76885087 0.24564596 0.22702983 0.13369102 0.36055084 0.45970188 0.24730237 0.31834018 0.39209653 0.31619015 0.19827402 0.90846602 0.95810811 0.50565327 0.85189652 0.93317095 0.32863761 0.85251378 0.066424268 0.20131151 0.69073579 0.96600625 0.40055867 ] } } { "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" 25.6654 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.56654e-09 } "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 } "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" [ 0.59219026 0.39188168 85.9226 0.5009316 0.3045939 0.093186271 0.23213146 0.36038681 0.043616775 0.39205758 0.36633845 0.91170099 0.2619176 0.33002978 0.78726269 0.38011638 0.55134054 0.89657788 0.36192949 0.43356439 0.61109929 0.50838719 0.39416468 0.67721652 0.32308249 0.52415255 0.65303513 0.50457138 0.46276156 0.74418407 0.18708955 0.76678824 0.87905196 0.40375235 0.44637931 0.097392605 0.39850417 0.32406522 0.22542611 0.11962547 0.74473164 0.76885087 0.24564596 0.22702983 0.13369102 0.36055084 0.45970188 0.24730237 0.31834018 0.39209653 0.31619015 0.19827402 0.90846602 0.95810811 0.50565327 0.85189652 0.93317095 0.32863761 0.85251378 0.066424268 0.20131151 0.69073579 0.96600625 0.40055867 ] } } ]