[ { "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" 9.0282 "source-unit" "angstrom" "si-unit" "m" "si-value" 9.0282e-10 } "parameter-names" { "source-value" [ "c/a" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" ] } "parameter-values" { "source-value" [ 0.49375291 0.92275861 0.39218064 0.48596104 0.14232089 0.96774034 0.72430767 0.826667 0.28094123 0.0020542498 0.20447389 0.95404456 0.22741571 ] } "library-prototype-label" { "source-value" "A3B_tI32_82_3g_g-001" } "short-name" { "source-value" [ "Ni3P" ] } "binding-potential-energy-per-atom" { "source-value" -4.607176139089298 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.381509958771207e-19 } "binding-potential-energy-per-formula" { "source-value" -18.428704556357193 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.952603983508483e-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" 9.0282 "source-unit" "angstrom" "si-unit" "m" "si-value" 9.0282e-10 } "parameter-names" { "source-value" [ "c/a" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" ] } "parameter-values" { "source-value" [ 0.49375291 0.92275861 0.39218064 0.48596104 0.14232089 0.96774034 0.72430767 0.826667 0.28094123 0.0020542498 0.20447389 0.95404456 0.22741571 ] } "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" } } ]