[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A2B_mC24_9_4a_2a" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 4.8861 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.8861e-10 } "binding-potential-energy-per-atom" { "source-value" -6.436618466857603 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.031259970957216e-18 } "binding-potential-energy-per-formula" { "source-value" -19.30985540057281 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.093779912871647e-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" ] } "parameter-values" { "source-value" [ 1.7504349 1.9406889 119.5833 0.47013957 0.48556671 0.2282124 0.15244184 0.27802653 0.29489441 0.536939 0.071767778 0.29737096 0.87727909 0.4348106 0.022964752 0.13695411 0.44177183 0.21049008 0.25734637 0.099650483 0.33606741 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "A2B_mC24_9_4a_2a" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 4.8861 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.8861e-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" ] } "parameter-values" { "source-value" [ 1.7504349 1.9406889 119.5833 0.47013957 0.48556671 0.2282124 0.15244184 0.27802653 0.29489441 0.536939 0.071767778 0.29737096 0.87727909 0.4348106 0.022964752 0.13695411 0.44177183 0.21049008 0.25734637 0.099650483 0.33606741 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 3 "prototype-label" { "source-value" "A2B_mC24_9_4a_2a" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 7.0429 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.042900000000001e-10 } "binding-potential-energy-per-atom" { "source-value" -6.436618466857603 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.031259970957216e-18 } "binding-potential-energy-per-formula" { "source-value" -19.30985540057281 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.093779912871647e-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" ] } "parameter-values" { "source-value" [ 1.1552343 1.1769158 138.137 0.16913078 0.72730505 0.95187949 0.67783048 0.75121895 0.75891171 0.64682578 0.79479449 0.13184928 0.9960808 0.99308658 0.49435194 0.0033517857 0.18599939 0.49095952 0.86117037 0.81484421 0.42157806 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 4 "prototype-label" { "source-value" "A2B_mC24_9_4a_2a" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 7.0429 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.042900000000001e-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" ] } "parameter-values" { "source-value" [ 1.1552343 1.1769158 138.137 0.16913078 0.72730505 0.95187949 0.67783048 0.75121895 0.75891171 0.64682578 0.79479449 0.13184928 0.9960808 0.99308658 0.49435194 0.0033517857 0.18599939 0.49095952 0.86117037 0.81484421 0.42157806 ] } } ]