[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A2B_mP12_14_2e_e" } "stoichiometric-species" { "source-value" [ "O" "V" ] } "a" { "source-value" 6.2672 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.2672e-10 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" ] } "parameter-values" { "source-value" [ 0.69375479 0.84602374 126.2058 0.91120741 0.20407395 0.83042166 0.60469364 0.66207172 0.71833002 0.74935103 0.00023124914 0.0014777492 ] } "binding-potential-energy-per-atom" { "source-value" -6.4674846028408295 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.036205271142635e-18 } "binding-potential-energy-per-formula" { "source-value" -19.402453808522488 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.108615813427904e-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_14_2e_e" } "stoichiometric-species" { "source-value" [ "O" "V" ] } "a" { "source-value" 6.2672 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.2672e-10 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" ] } "parameter-values" { "source-value" [ 0.69375479 0.84602374 126.2058 0.91120741 0.20407395 0.83042166 0.60469364 0.66207172 0.71833002 0.74935103 0.00023124914 0.0014777492 ] } "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" } } ]