[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "AB5_aP12_2_i_5i" } "stoichiometric-species" { "source-value" [ "B" "C" ] } "a" { "source-value" 4.4926 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.492600000000001e-10 } "binding-potential-energy-per-atom" { "source-value" -7.9212819566683015 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.269129286229975e-18 } "binding-potential-energy-per-formula" { "source-value" -47.52769174000981 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.614775717379851e-18 } "parameter-names" { "source-value" [ "b/a" "c/a" "alpha" "beta" "gamma" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" ] } "parameter-values" { "source-value" [ 1.00138 0.99151939 70.1287 60.3318 79.8593 0.33091464 0.20271162 0.24235216 0.6700381 0.67895546 0.12033391 0.68419853 0.313695 0.23407398 0.33267876 0.79523926 0.39774031 0.023028078 0.67620518 0.42050446 0.99369588 0.19158895 0.9406719 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "AB5_aP12_2_i_5i" } "stoichiometric-species" { "source-value" [ "B" "C" ] } "a" { "source-value" 4.4926 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.492600000000001e-10 } "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 } "parameter-names" { "source-value" [ "b/a" "c/a" "alpha" "beta" "gamma" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" ] } "parameter-values" { "source-value" [ 1.00138 0.99151939 70.1287 60.3318 79.8593 0.33091464 0.20271162 0.24235216 0.6700381 0.67895546 0.12033391 0.68419853 0.313695 0.23407398 0.33267876 0.79523926 0.39774031 0.023028078 0.67620518 0.42050446 0.99369588 0.19158895 0.9406719 ] } } ]