[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A2B_tP36_96_3b_ab" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 7.5092 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.5092e-10 } "parameter-names" { "source-value" [ "c/a" "x1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" "x5" "y5" "z5" ] } "parameter-values" { "source-value" [ 1.1039924 0.4072035 0.43123766 0.13209052 0.43295254 0.1092448 0.12060227 0.30604436 0.36775041 0.27701158 0.14998085 0.31834938 0.11539374 0.26969079 ] } "binding-potential-energy-per-atom" { "source-value" -9.108335319922327 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.459316202421647e-18 } "binding-potential-energy-per-formula" { "source-value" -27.325005959766983 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.37794860726494e-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_tP36_96_3b_ab" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 7.5092 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.5092e-10 } "parameter-names" { "source-value" [ "c/a" "x1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" "x5" "y5" "z5" ] } "parameter-values" { "source-value" [ 1.1039924 0.4072035 0.43123766 0.13209052 0.43295254 0.1092448 0.12060227 0.30604436 0.36775041 0.27701158 0.14998085 0.31834938 0.11539374 0.26969079 ] } "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" } } ]