[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A2B_tP48_114_4e_2e" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 10.7623 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.07623e-09 } "parameter-names" { "source-value" [ "c/a" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" ] } "parameter-values" { "source-value" [ 0.44808266 0.11688982 0.56604486 0.1014664 0.84803781 0.21172971 0.24604632 0.72449014 0.070303874 0.82265394 0.96502964 0.13417704 0.84968043 0.17128368 0.55782654 0.79871079 0.6613533 0.60229944 0.47679323 ] } "binding-potential-energy-per-atom" { "source-value" -19.25808200658398 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.085484900660468e-18 } "binding-potential-energy-per-formula" { "source-value" -57.77424601975194 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.256454701981405e-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_tP48_114_4e_2e" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 10.7623 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.07623e-09 } "parameter-names" { "source-value" [ "c/a" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" ] } "parameter-values" { "source-value" [ 0.44808266 0.11688982 0.56604486 0.1014664 0.84803781 0.21172971 0.24604632 0.72449014 0.070303874 0.82265394 0.96502964 0.13417704 0.84968043 0.17128368 0.55782654 0.79871079 0.6613533 0.60229944 0.47679323 ] } "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" } } ]