[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A_tP106_137_a5g4h" } "stoichiometric-species" { "source-value" [ "Si" ] } "a" { "source-value" 41.6102 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.16102e-09 } "parameter-names" { "source-value" [ "c/a" "y2" "z2" "y3" "z3" "y4" "z4" "y5" "z5" "y6" "z6" "x7" "y7" "z7" "x8" "y8" "z8" "x9" "y9" "z9" "x10" "y10" "z10" ] } "parameter-values" { "source-value" [ 1.994821 0.90950504 0.49191307 0.013892243 0.91933973 0.12891115 0.21033593 0.87922916 0.086259374 0.089478179 0.63749851 0.62579723 0.87253281 0.18603667 0.46244802 0.029550385 0.05931272 0.61875572 0.12260488 0.15618231 0.38940519 0.93910645 0.18334409 ] } "binding-potential-energy-per-atom" { "source-value" -3.35161667811368e-17 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.369881927798437e-36 } "binding-potential-energy-per-formula" { "source-value" -3.35161667811368e-17 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.369881927798437e-36 } "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" "A_tP106_137_a5g4h" } "stoichiometric-species" { "source-value" [ "Si" ] } "a" { "source-value" 41.6102 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.16102e-09 } "parameter-names" { "source-value" [ "c/a" "y2" "z2" "y3" "z3" "y4" "z4" "y5" "z5" "y6" "z6" "x7" "y7" "z7" "x8" "y8" "z8" "x9" "y9" "z9" "x10" "y10" "z10" ] } "parameter-values" { "source-value" [ 1.994821 0.90950504 0.49191307 0.013892243 0.91933973 0.12891115 0.21033593 0.87922916 0.086259374 0.089478179 0.63749851 0.62579723 0.87253281 0.18603667 0.46244802 0.029550385 0.05931272 0.61875572 0.12260488 0.15618231 0.38940519 0.93910645 0.18334409 ] } "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" } } ]