[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A2B_oF96_70_c2ef_h" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 23.3561 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.33561e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "x2" "x3" "y4" "x5" "y5" "z5" ] } "parameter-values" { "source-value" [ 0.44100256 0.23719713 0.074385679 0.46236377 0.33791391 0.058964815 0.77667313 0.59248504 ] } "binding-potential-energy-per-atom" { "source-value" -13.176752378816614 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.111148477334389e-18 } "binding-potential-energy-per-formula" { "source-value" -39.53025713644984 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.333445432003168e-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_oF96_70_c2ef_h" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 23.3561 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.33561e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "x2" "x3" "y4" "x5" "y5" "z5" ] } "parameter-values" { "source-value" [ 0.44100256 0.23719713 0.074385679 0.46236377 0.33791391 0.058964815 0.77667313 0.59248504 ] } "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_oF96_70_c2ef_h" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 21.1253 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.11253e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "x2" "x3" "y4" "x5" "y5" "z5" ] } "parameter-values" { "source-value" [ 0.70994021 0.23404638 0.32448537 0.7901233 0.252819 0.80782963 0.55899527 0.36845984 ] } "binding-potential-energy-per-atom" { "source-value" -13.52905378193987 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.167593384955339e-18 } "binding-potential-energy-per-formula" { "source-value" -40.58716134581961 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.502780154866017e-18 } "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_oF96_70_c2ef_h" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 21.1253 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.11253e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "x2" "x3" "y4" "x5" "y5" "z5" ] } "parameter-values" { "source-value" [ 0.70994021 0.23404638 0.32448537 0.7901233 0.252819 0.80782963 0.55899527 0.36845984 ] } "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" } } ]