[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A2B_tP36_92_3b_ab" } "stoichiometric-species" { "source-value" [ "H" "O" ] } "a" { "source-value" 5.4664 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.4664e-10 } "binding-potential-energy-per-atom" { "source-value" -3.8967543654720314 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.243288792796784e-19 } "binding-potential-energy-per-formula" { "source-value" -11.690263096416095 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.872986637839035e-18 } "parameter-names" { "source-value" [ "c/a" "x1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" "x5" "y5" "z5" ] } "parameter-values" { "source-value" [ 1.1672582 0.33574688 0.90141721 0.35507446 0.31826055 0.059904268 0.096509865 0.35350049 0.19544769 0.33572202 0.10268345 0.068155714 0.28042964 0.33702932 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "A2B_tP36_92_3b_ab" } "stoichiometric-species" { "source-value" [ "H" "O" ] } "a" { "source-value" 5.4664 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.4664e-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" [ "c/a" "x1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" "x5" "y5" "z5" ] } "parameter-values" { "source-value" [ 1.1672582 0.33574688 0.90141721 0.35507446 0.31826055 0.059904268 0.096509865 0.35350049 0.19544769 0.33572202 0.10268345 0.068155714 0.28042964 0.33702932 ] } } ]