[ { "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" 3.0882 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.0882e-10 } "binding-potential-energy-per-atom" { "source-value" -31.551677266112204 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.055136007927397e-18 } "binding-potential-energy-per-formula" { "source-value" -94.65503179833661 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.516540802378219e-17 } "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" [ 1.5494787 1.553332 65.8232 106.6755 93.0109 0.5757079 0.54504901 0.19632489 0.99114396 0.53306501 0.34531774 0.42476562 0.51990687 0.42828402 0.80228091 0.78673696 0.084539326 0.41679604 0.76602011 0.9087453 0.85796066 0.53157378 0.057340728 0.2083405 0.69776941 0.12643791 0.75986293 0.3303909 0.50226334 0.23099585 0.39154045 0.23278298 0.64658147 0.75077468 0.31261007 0.83392945 0.54663515 0.59036017 0.43662236 0.95441886 0.03662133 0.30056327 0.15024013 0.61384241 0.19014612 0.85683306 0.38282433 0.65974109 0.16836813 0.25200752 0.84267496 0.82858025 0.71884312 0.93057039 0.16389566 0.91364118 0.3910165 0.47993494 0.79618028 ] } } { "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" 3.0882 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.0882e-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" [ 1.5494787 1.553332 65.8232 106.6755 93.0109 0.5757079 0.54504901 0.19632489 0.99114396 0.53306501 0.34531774 0.42476562 0.51990687 0.42828402 0.80228091 0.78673696 0.084539326 0.41679604 0.76602011 0.9087453 0.85796066 0.53157378 0.057340728 0.2083405 0.69776941 0.12643791 0.75986293 0.3303909 0.50226334 0.23099585 0.39154045 0.23278298 0.64658147 0.75077468 0.31261007 0.83392945 0.54663515 0.59036017 0.43662236 0.95441886 0.03662133 0.30056327 0.15024013 0.61384241 0.19014612 0.85683306 0.38282433 0.65974109 0.16836813 0.25200752 0.84267496 0.82858025 0.71884312 0.93057039 0.16389566 0.91364118 0.3910165 0.47993494 0.79618028 ] } } ]