[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "AB6C_oP16_31_a_2a2b_a" } "stoichiometric-species" { "source-value" [ "B" "H" "N" ] } "a" { "source-value" 2.3584 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.3584e-10 } "binding-potential-energy-per-atom" { "source-value" -34.03217881336251 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.452556169887926e-18 } "binding-potential-energy-per-formula" { "source-value" -272.2574305069001 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.362044935910341e-17 } "parameter-names" { "source-value" [ "b/a" "c/a" "y1" "z1" "y2" "z2" "y3" "z3" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" ] } "parameter-values" { "source-value" [ 1.1690129 0.79197761 0.40631078 0.90232999 0.78321484 0.099592341 0.20938419 0.38501143 0.8935334 0.59712093 0.87653421 0.98034759 0.10113745 0.74716088 0.80099909 0.0013336359 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "AB6C_oP16_31_a_2a2b_a" } "stoichiometric-species" { "source-value" [ "B" "H" "N" ] } "a" { "source-value" 2.3584 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.3584e-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" "y1" "z1" "y2" "z2" "y3" "z3" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" ] } "parameter-values" { "source-value" [ 1.1690129 0.79197761 0.40631078 0.90232999 0.78321484 0.099592341 0.20938419 0.38501143 0.8935334 0.59712093 0.87653421 0.98034759 0.10113745 0.74716088 0.80099909 0.0013336359 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 3 "prototype-label" { "source-value" "AB6C_oP16_31_a_2a2b_a" } "stoichiometric-species" { "source-value" [ "B" "H" "N" ] } "a" { "source-value" 1.9468 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.9468e-10 } "binding-potential-energy-per-atom" { "source-value" -36.00029730035401 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.767883515168048e-18 } "binding-potential-energy-per-formula" { "source-value" -288.0023784028321 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.614306812134438e-17 } "parameter-names" { "source-value" [ "b/a" "c/a" "y1" "z1" "y2" "z2" "y3" "z3" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" ] } "parameter-values" { "source-value" [ 1.4716458 1.0545511 0.068450037 0.79891556 0.52830627 0.63264517 0.35894422 0.47788305 0.56700651 0.10070077 0.83917595 0.24951462 0.28400203 0.65415316 0.30099736 0.058191827 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 4 "prototype-label" { "source-value" "AB6C_oP16_31_a_2a2b_a" } "stoichiometric-species" { "source-value" [ "B" "H" "N" ] } "a" { "source-value" 1.9468 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.9468e-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" "y1" "z1" "y2" "z2" "y3" "z3" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" ] } "parameter-values" { "source-value" [ 1.4716458 1.0545511 0.068450037 0.79891556 0.52830627 0.63264517 0.35894422 0.47788305 0.56700651 0.10070077 0.83917595 0.24951462 0.28400203 0.65415316 0.30099736 0.058191827 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 5 "prototype-label" { "source-value" "AB6C_oP16_31_a_2a2b_a" } "stoichiometric-species" { "source-value" [ "B" "H" "N" ] } "a" { "source-value" 2.2942 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.2942e-10 } "binding-potential-energy-per-atom" { "source-value" -35.666920916781415 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.714470729959304e-18 } "binding-potential-energy-per-formula" { "source-value" -285.3353673342513 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.571576583967443e-17 } "parameter-names" { "source-value" [ "b/a" "c/a" "y1" "z1" "y2" "z2" "y3" "z3" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" ] } "parameter-values" { "source-value" [ 1.4149159 0.68167553 0.36466457 0.098434033 0.62799262 0.55883185 0.060383466 0.43831507 0.82466106 0.048626238 0.87212615 0.085418636 0.77036877 0.79501548 0.94446831 0.55443828 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 6 "prototype-label" { "source-value" "AB6C_oP16_31_a_2a2b_a" } "stoichiometric-species" { "source-value" [ "B" "H" "N" ] } "a" { "source-value" 2.2942 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.2942e-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" "y1" "z1" "y2" "z2" "y3" "z3" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" ] } "parameter-values" { "source-value" [ 1.4149159 0.68167553 0.36466457 0.098434033 0.62799262 0.55883185 0.060383466 0.43831507 0.82466106 0.048626238 0.87212615 0.085418636 0.77036877 0.79501548 0.94446831 0.55443828 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 7 "prototype-label" { "source-value" "AB6C_oP16_31_a_2a2b_a" } "stoichiometric-species" { "source-value" [ "B" "H" "N" ] } "a" { "source-value" 2.0804 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.0804e-10 } "binding-potential-energy-per-atom" { "source-value" -33.61939840788277 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.386421457824657e-18 } "binding-potential-energy-per-formula" { "source-value" -268.95518726306216 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.309137166259725e-17 } "parameter-names" { "source-value" [ "b/a" "c/a" "y1" "z1" "y2" "z2" "y3" "z3" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" ] } "parameter-values" { "source-value" [ 1.2807152 1.0074024 0.5847183 0.64890602 0.54405309 0.14817733 0.31625472 0.034725052 0.070120631 0.38180667 0.85256252 0.7501952 0.1467321 0.64505697 0.81676554 0.34096382 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 8 "prototype-label" { "source-value" "AB6C_oP16_31_a_2a2b_a" } "stoichiometric-species" { "source-value" [ "B" "H" "N" ] } "a" { "source-value" 2.0804 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.0804e-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" "y1" "z1" "y2" "z2" "y3" "z3" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" ] } "parameter-values" { "source-value" [ 1.2807152 1.0074024 0.5847183 0.64890602 0.54405309 0.14817733 0.31625472 0.034725052 0.070120631 0.38180667 0.85256252 0.7501952 0.1467321 0.64505697 0.81676554 0.34096382 ] } } ]