[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "AB6C_oC32_36_a_2a2b_a" } "stoichiometric-species" { "source-value" [ "B" "H" "N" ] } "a" { "source-value" 1.5007 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.5007e-10 } "binding-potential-energy-per-atom" { "source-value" -34.21958347574021 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.482581707004346e-18 } "binding-potential-energy-per-formula" { "source-value" -273.75666780592167 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.386065365603477e-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" [ 5.8136203 1.2061038 0.19074109 0.15140229 0.66714516 0.65196764 0.60775366 0.85923855 0.55353339 0.33205296 0.20222097 0.059153316 0.83041448 0.19396269 0.12199343 0.66568551 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "AB6C_oC32_36_a_2a2b_a" } "stoichiometric-species" { "source-value" [ "B" "H" "N" ] } "a" { "source-value" 1.5007 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.5007e-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" [ 5.8136203 1.2061038 0.19074109 0.15140229 0.66714516 0.65196764 0.60775366 0.85923855 0.55353339 0.33205296 0.20222097 0.059153316 0.83041448 0.19396269 0.12199343 0.66568551 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 3 "prototype-label" { "source-value" "AB6C_oC32_36_a_2a2b_a" } "stoichiometric-species" { "source-value" [ "B" "H" "N" ] } "a" { "source-value" 2.5276 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.5276e-10 } "binding-potential-energy-per-atom" { "source-value" -34.2374952278284 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.485451486071316e-18 } "binding-potential-energy-per-formula" { "source-value" -273.8999618226272 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.388361188857053e-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" [ 0.74220605 2.0267052 0.86111672 0.42985438 0.88268566 0.11775817 0.63572065 0.04005507 0.36101829 0.20792474 0.20004637 0.71745807 0.098457633 0.87993741 0.85785618 0.21733597 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 4 "prototype-label" { "source-value" "AB6C_oC32_36_a_2a2b_a" } "stoichiometric-species" { "source-value" [ "B" "H" "N" ] } "a" { "source-value" 2.5276 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.5276e-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" [ 0.74220605 2.0267052 0.86111672 0.42985438 0.88268566 0.11775817 0.63572065 0.04005507 0.36101829 0.20792474 0.20004637 0.71745807 0.098457633 0.87993741 0.85785618 0.21733597 ] } } ]