[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A3B_tI32_82_3g_g" } "stoichiometric-species" { "source-value" [ "Fe" "P" ] } "a" { "source-value" 9.2212 "source-unit" "angstrom" "si-unit" "m" "si-value" 9.2212e-10 } "parameter-names" { "source-value" [ "c/a" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" ] } "parameter-values" { "source-value" [ 0.47619616 0.92261885 0.39959545 0.48139015 0.13989807 0.96291949 0.74515276 0.83495871 0.28201123 0.0079129771 0.20842101 0.95144041 0.2477441 ] } "library-prototype-label" { "source-value" "A3B_tI32_82_3g_g-001" } "short-name" { "source-value" [ "Ni3P" ] } "binding-potential-energy-per-atom" { "source-value" -3.5300503654710482 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.655764212400874e-19 } "binding-potential-energy-per-formula" { "source-value" -14.120201461884193 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.262305684960349e-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" "A3B_tI32_82_3g_g" } "stoichiometric-species" { "source-value" [ "Fe" "P" ] } "a" { "source-value" 9.2212 "source-unit" "angstrom" "si-unit" "m" "si-value" 9.2212e-10 } "parameter-names" { "source-value" [ "c/a" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" ] } "parameter-values" { "source-value" [ 0.47619616 0.92261885 0.39959545 0.48139015 0.13989807 0.96291949 0.74515276 0.83495871 0.28201123 0.0079129771 0.20842101 0.95144041 0.2477441 ] } "library-prototype-label" { "source-value" "A3B_tI32_82_3g_g-001" } "short-name" { "source-value" [ "Ni3P" ] } "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" } } ]