[ { "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" 7.8551 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.8551e-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" [ 0.54019681 1.1192346 149.7328 0.75606765 0.34664604 0.24472288 0.15147821 0.30266234 0.72803738 0.6598771 0.19137465 0.75630771 0.31219909 0.23255777 0.13679885 0.022497632 0.39704303 0.017741484 0.44089033 0.14118784 0.064211716 ] } "binding-potential-energy-per-atom" { "source-value" -6.389327837189637 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.023683176771099e-18 } "binding-potential-energy-per-formula" { "source-value" -19.167983511568913 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.071049530313298e-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_mP12_7_4a_2a" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 7.8551 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.8551e-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" [ 0.54019681 1.1192346 149.7328 0.75606765 0.34664604 0.24472288 0.15147821 0.30266234 0.72803738 0.6598771 0.19137465 0.75630771 0.31219909 0.23255777 0.13679885 0.022497632 0.39704303 0.017741484 0.44089033 0.14118784 0.064211716 ] } "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" } } ]