[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A2B_hP36_177_jk2l_n" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 12.8714 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.28714e-09 } "parameter-names" { "source-value" [ "c/a" "x1" "x2" "x3" "x4" "x5" "y5" "z5" ] } "parameter-values" { "source-value" [ 0.28696956 0.69874467 0.60169744 0.55915916 0.77853156 0.097462122 0.66741716 0.84462723 ] } "binding-potential-energy-per-atom" { "source-value" -18.51855846433733 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.967000166692419e-18 } "binding-potential-energy-per-formula" { "source-value" -55.555675393011995 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.901000500077259e-18 } "coordinates-file" { "source-value" "instance-1.poscar" } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "A2B_hP36_177_jk2l_n" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 12.8714 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.28714e-09 } "parameter-names" { "source-value" [ "c/a" "x1" "x2" "x3" "x4" "x5" "y5" "z5" ] } "parameter-values" { "source-value" [ 0.28696956 0.69874467 0.60169744 0.55915916 0.77853156 0.097462122 0.66741716 0.84462723 ] } "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 } "coordinates-file" { "source-value" "instance-2.poscar" } } ]