[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A2B_mP48_14_8e_4e" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 12.598 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.2598e-09 } "binding-potential-energy-per-atom" { "source-value" -6.683216274198707 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.07076929544897e-18 } "binding-potential-energy-per-formula" { "source-value" -20.049648822596122 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.212307886346912e-18 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "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" ] } "parameter-values" { "source-value" [ 0.98002858 0.57675028 149.0939 0.44199346 0.34172818 0.10957109 0.45256568 0.36757682 0.489835 0.75711539 0.47500682 0.25921013 0.74688838 0.4547173 0.71508971 0.031639474 0.34780773 0.49784826 0.03517489 0.36569628 0.86663638 0.71644943 0.23645188 0.73932241 0.24007597 0.36744829 0.48566549 0.59411387 0.35007608 0.51528149 0.88527013 0.36094236 0.46204285 0.24235589 0.41267788 0.27675132 0.23979869 0.3936402 0.70586553 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "A2B_mP48_14_8e_4e" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 12.598 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.2598e-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" "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" ] } "parameter-values" { "source-value" [ 0.98002858 0.57675028 149.0939 0.44199346 0.34172818 0.10957109 0.45256568 0.36757682 0.489835 0.75711539 0.47500682 0.25921013 0.74688838 0.4547173 0.71508971 0.031639474 0.34780773 0.49784826 0.03517489 0.36569628 0.86663638 0.71644943 0.23645188 0.73932241 0.24007597 0.36744829 0.48566549 0.59411387 0.35007608 0.51528149 0.88527013 0.36094236 0.46204285 0.24235589 0.41267788 0.27675132 0.23979869 0.3936402 0.70586553 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 3 "prototype-label" { "source-value" "A2B_mP48_14_8e_4e" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 7.267 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.267000000000001e-10 } "binding-potential-energy-per-atom" { "source-value" -6.332736390476964 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.014616227410369e-18 } "binding-potential-energy-per-formula" { "source-value" -18.998209171430894 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.043848682231107e-18 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "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" ] } "parameter-values" { "source-value" [ 1.9299849 1.1204761 129.8467 0.21436986 0.26828613 0.27406536 0.076740172 0.41246634 0.77019336 0.22521222 0.37207904 0.55395776 0.61001574 0.37056068 0.5732266 0.97729406 0.28381922 0.32077581 0.20851715 0.45952321 0.25564399 0.53609374 0.36761762 0.98317585 0.92428362 0.38720284 0.9944747 0.31653095 0.3667924 0.41482124 0.81770813 0.34931081 0.10689242 0.85370745 0.42637818 0.77123656 0.2604218 0.34545177 0.76872252 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 4 "prototype-label" { "source-value" "A2B_mP48_14_8e_4e" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 7.267 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.267000000000001e-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" "beta" "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" ] } "parameter-values" { "source-value" [ 1.9299849 1.1204761 129.8467 0.21436986 0.26828613 0.27406536 0.076740172 0.41246634 0.77019336 0.22521222 0.37207904 0.55395776 0.61001574 0.37056068 0.5732266 0.97729406 0.28381922 0.32077581 0.20851715 0.45952321 0.25564399 0.53609374 0.36761762 0.98317585 0.92428362 0.38720284 0.9944747 0.31653095 0.3667924 0.41482124 0.81770813 0.34931081 0.10689242 0.85370745 0.42637818 0.77123656 0.2604218 0.34545177 0.76872252 ] } } ]