[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A2B_tI96_141_fg2h_i" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 9.1619 "source-unit" "angstrom" "si-unit" "m" "si-value" 9.161899999999999e-10 } "parameter-names" { "source-value" [ "c/a" "x1" "x2" "y3" "z3" "y4" "z4" "x5" "y5" "z5" ] } "parameter-values" { "source-value" [ 2.1935952 0.70966403 0.22253661 0.063380894 0.19488589 0.45442105 0.58671192 0.3289563 0.41689209 0.31799127 ] } "binding-potential-energy-per-atom" { "source-value" -1.5475216012330926 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.479402950105926e-19 } "binding-potential-energy-per-formula" { "source-value" -4.642564803699278 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.43820885031778e-19 } "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_tI96_141_fg2h_i" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 9.1619 "source-unit" "angstrom" "si-unit" "m" "si-value" 9.161899999999999e-10 } "parameter-names" { "source-value" [ "c/a" "x1" "x2" "y3" "z3" "y4" "z4" "x5" "y5" "z5" ] } "parameter-values" { "source-value" [ 2.1935952 0.70966403 0.22253661 0.063380894 0.19488589 0.45442105 0.58671192 0.3289563 0.41689209 0.31799127 ] } "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" } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 3 "prototype-label" { "source-value" "A2B_tI96_141_fg2h_i" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 10.1885 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.01885e-09 } "parameter-names" { "source-value" [ "c/a" "x1" "x2" "y3" "z3" "y4" "z4" "x5" "y5" "z5" ] } "parameter-values" { "source-value" [ 2.0163223 0.28732833 0.3105829 0.607845 0.54335787 0.95895475 0.7093515 0.1472565 0.091582914 0.30199205 ] } "binding-potential-energy-per-atom" { "source-value" -1.5335953009922558 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.457090557261989e-19 } "binding-potential-energy-per-formula" { "source-value" -4.600785902976767 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.371271671785967e-19 } "coordinates-file" { "source-value" "instance-3.poscar" } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 4 "prototype-label" { "source-value" "A2B_tI96_141_fg2h_i" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 10.1885 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.01885e-09 } "parameter-names" { "source-value" [ "c/a" "x1" "x2" "y3" "z3" "y4" "z4" "x5" "y5" "z5" ] } "parameter-values" { "source-value" [ 2.0163223 0.28732833 0.3105829 0.607845 0.54335787 0.95895475 0.7093515 0.1472565 0.091582914 0.30199205 ] } "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-4.poscar" } } ]