[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "AB_mC32_15_2f_2f" } "stoichiometric-species" { "source-value" [ "Na" "Si" ] } "a" { "source-value" 14.1685 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.41685e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" ] } "parameter-values" { "source-value" [ 0.46555387 1.1934926 133.588 0.29909259 0.93145729 0.35591504 0.90206438 0.031314998 0.083482808 0.84968968 0.46924358 0.19019252 0.044449437 0.52584988 0.36746163 ] } "binding-potential-energy-per-atom" { "source-value" -1.8774174680382398 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.00795439955431e-19 } "binding-potential-energy-per-formula" { "source-value" -3.7548349360764797 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.015908799108619e-19 } "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" "AB_mC32_15_2f_2f" } "stoichiometric-species" { "source-value" [ "Na" "Si" ] } "a" { "source-value" 14.1685 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.41685e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" ] } "parameter-values" { "source-value" [ 0.46555387 1.1934926 133.588 0.29909259 0.93145729 0.35591504 0.90206438 0.031314998 0.083482808 0.84968968 0.46924358 0.19019252 0.044449437 0.52584988 0.36746163 ] } "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" } } ]