[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A2B_mP24_14_4e_2e" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 8.5601 "source-unit" "angstrom" "si-unit" "m" "si-value" 8.5601e-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" [ 0.5837315 1.6323291 144.8716 0.14906944 0.16776423 0.97636347 0.6621983 0.33908984 0.6836243 0.9137633 0.97356248 0.70599215 0.5244205 0.30026544 0.28889464 0.95136575 0.23796072 0.78913238 0.45283752 0.10576877 0.16474334 ] } "binding-potential-energy-per-atom" { "source-value" -7.6259918242116145 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.221818591182688e-18 } "binding-potential-energy-per-formula" { "source-value" -22.877975472634844 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.665455773548065e-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_mP24_14_4e_2e" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 8.5601 "source-unit" "angstrom" "si-unit" "m" "si-value" 8.5601e-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" [ 0.5837315 1.6323291 144.8716 0.14906944 0.16776423 0.97636347 0.6621983 0.33908984 0.6836243 0.9137633 0.97356248 0.70599215 0.5244205 0.30026544 0.28889464 0.95136575 0.23796072 0.78913238 0.45283752 0.10576877 0.16474334 ] } "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" } } ]