[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A2B_aP18_1_12a_6a" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 6.8164 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.8164e-10 } "binding-potential-energy-per-atom" { "source-value" -1.4118884280632722 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.262094649257965e-19 } "binding-potential-energy-per-formula" { "source-value" -4.235665284189817 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.786283947773893e-19 } "parameter-names" { "source-value" [ "b/a" "c/a" "alpha" "beta" "gamma" "x1" "y1" "z1" "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" ] } "parameter-values" { "source-value" [ 0.7784461 1.0213896 78.2807 76.0554 109.5832 0.71638916 0.60286269 0.88827284 0.25691606 0.031602868 0.6574579 0.29260619 0.12804034 0.0012148774 0.58388725 0.74615993 0.54428413 0.932039 0.68828035 0.19087023 0.53299787 0.611975 0.23550938 0.66423852 0.24472794 0.64057408 0.011332147 0.14517812 0.35835617 0.6568589 0.17345482 0.20478753 0.24852395 0.81613685 0.3523198 0.40480291 0.76067496 0.88350983 0.029116814 0.33207023 0.70393493 0.39638458 0.050083196 0.80073475 0.90740454 0.24528391 0.55539209 0.53816354 0.61381502 0.78247797 0.4942526 0.83956829 0.34134568 0.11626286 0.95071366 0.23266195 0.71852309 0.51907182 0.12732923 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "A2B_aP18_1_12a_6a" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 6.8164 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.8164e-10 } "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" "alpha" "beta" "gamma" "x1" "y1" "z1" "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" ] } "parameter-values" { "source-value" [ 0.7784461 1.0213896 78.2807 76.0554 109.5832 0.71638916 0.60286269 0.88827284 0.25691606 0.031602868 0.6574579 0.29260619 0.12804034 0.0012148774 0.58388725 0.74615993 0.54428413 0.932039 0.68828035 0.19087023 0.53299787 0.611975 0.23550938 0.66423852 0.24472794 0.64057408 0.011332147 0.14517812 0.35835617 0.6568589 0.17345482 0.20478753 0.24852395 0.81613685 0.3523198 0.40480291 0.76067496 0.88350983 0.029116814 0.33207023 0.70393493 0.39638458 0.050083196 0.80073475 0.90740454 0.24528391 0.55539209 0.53816354 0.61381502 0.78247797 0.4942526 0.83956829 0.34134568 0.11626286 0.95071366 0.23266195 0.71852309 0.51907182 0.12732923 ] } } ]