[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A2B_mP12_7_4a_2a" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 7.6525 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.6525e-10 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" ] } "parameter-values" { "source-value" [ 0.65472721 1.3127213 148.6342 0.793367 0.3681628 0.29233934 0.26749288 0.16637027 0.83712079 0.6252647 0.13282397 0.72828022 0.2616669 0.25871647 0.084609431 0.90556257 0.34308033 0.89489428 0.48965598 0.1622544 0.11057595 ] } "binding-potential-energy-per-atom" { "source-value" -1.4797329206258676 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.370793509987341e-19 } "binding-potential-energy-per-formula" { "source-value" -4.439198761877603 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.112380529962025e-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_mP12_7_4a_2a" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 7.6525 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.6525e-10 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" ] } "parameter-values" { "source-value" [ 0.65472721 1.3127213 148.6342 0.793367 0.3681628 0.29233934 0.26749288 0.16637027 0.83712079 0.6252647 0.13282397 0.72828022 0.2616669 0.25871647 0.084609431 0.90556257 0.34308033 0.89489428 0.48965598 0.1622544 0.11057595 ] } "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" } } ]