[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A2B_oP12_33_2a_a" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 5.0339 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.033900000000001e-10 } "parameter-names" { "source-value" [ "b/a" "c/a" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" ] } "parameter-values" { "source-value" [ 1.3703888 1.0196071 0.98469561 0.45815248 0.29125126 0.86880176 0.80860684 0.45873023 0.935798 0.37627562 2.8504262e-05 ] } "binding-potential-energy-per-atom" { "source-value" -13.728901827124963 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.199612571789952e-18 } "binding-potential-energy-per-formula" { "source-value" -41.18670548137489 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.598837715369856e-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_oP12_33_2a_a" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 5.0339 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.033900000000001e-10 } "parameter-names" { "source-value" [ "b/a" "c/a" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" ] } "parameter-values" { "source-value" [ 1.3703888 1.0196071 0.98469561 0.45815248 0.29125126 0.86880176 0.80860684 0.45873023 0.935798 0.37627562 2.8504262e-05 ] } "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" } } ]