[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "AB_hP38_156_7a6b6c_7a6b6c" } "stoichiometric-species" { "source-value" [ "C" "Si" ] } "a" { "source-value" 3.0456 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.0456e-10 } "parameter-names" { "source-value" [ "c/a" "z1" "z2" "z3" "z4" "z5" "z6" "z7" "z8" "z9" "z10" "z11" "z12" "z13" "z14" "z15" "z16" "z17" "z18" "z19" "z20" "z21" "z22" "z23" "z24" "z25" "z26" "z27" "z28" "z29" "z30" "z31" "z32" "z33" "z34" "z35" "z36" "z37" "z38" ] } "parameter-values" { "source-value" [ 15.513429 0.14473947 0.25000263 0.46052895 0.61842368 0.93421316 0.82895 0.039476316 0.21052895 0.57895 2.6316072e-06 0.10526579 0.78947632 0.42105526 0.89473947 0.51316053 0.40789737 0.30263421 0.092107895 0.88158158 0.72368684 0.84210789 0.68421316 0.052634211 0.47368684 0.36842368 0.26316053 0.67105526 0.98684474 0.77631842 0.56579211 0.35526579 0.19737105 0.63158158 0.94737105 0.52631842 0.73684474 0.31579211 0.15789737 ] } "binding-potential-energy-per-atom" { "source-value" -6.209779826423712 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.949164140180646e-19 } "binding-potential-energy-per-formula" { "source-value" -12.419559652847424 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.989832828036129e-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" "AB_hP38_156_7a6b6c_7a6b6c" } "stoichiometric-species" { "source-value" [ "C" "Si" ] } "a" { "source-value" 3.0456 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.0456e-10 } "parameter-names" { "source-value" [ "c/a" "z1" "z2" "z3" "z4" "z5" "z6" "z7" "z8" "z9" "z10" "z11" "z12" "z13" "z14" "z15" "z16" "z17" "z18" "z19" "z20" "z21" "z22" "z23" "z24" "z25" "z26" "z27" "z28" "z29" "z30" "z31" "z32" "z33" "z34" "z35" "z36" "z37" "z38" ] } "parameter-values" { "source-value" [ 15.513429 0.14473947 0.25000263 0.46052895 0.61842368 0.93421316 0.82895 0.039476316 0.21052895 0.57895 2.6316072e-06 0.10526579 0.78947632 0.42105526 0.89473947 0.51316053 0.40789737 0.30263421 0.092107895 0.88158158 0.72368684 0.84210789 0.68421316 0.052634211 0.47368684 0.36842368 0.26316053 0.67105526 0.98684474 0.77631842 0.56579211 0.35526579 0.19737105 0.63158158 0.94737105 0.52631842 0.73684474 0.31579211 0.15789737 ] } "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" } } ]