[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A2B_mC24_5_4c_2c" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 6.7005 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.7005e-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" [ 1.176345 1.1875233 136.6076 0.76552362 0.98748645 0.56374212 0.59508771 0.19511577 0.23576608 0.25518388 0.94535036 0.067578762 0.24345882 0.87426861 0.74990993 0.59136063 0.99805678 0.28227316 0.96243833 0.87583204 0.20805878 ] } "binding-potential-energy-per-atom" { "source-value" -9.022452140185264 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.445556200038812e-18 } "binding-potential-energy-per-formula" { "source-value" -27.06735642055579 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.336668600116436e-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_mC24_5_4c_2c" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 6.7005 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.7005e-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" [ 1.176345 1.1875233 136.6076 0.76552362 0.98748645 0.56374212 0.59508771 0.19511577 0.23576608 0.25518388 0.94535036 0.067578762 0.24345882 0.87426861 0.74990993 0.59136063 0.99805678 0.28227316 0.96243833 0.87583204 0.20805878 ] } "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" } } ]