[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A2B_mC96_12_4i6j_2i3j" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 19.2896 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.92896e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "x1" "z1" "x2" "z2" "x3" "z3" "x4" "z4" "x5" "z5" "x6" "z6" "x7" "y7" "z7" "x8" "y8" "z8" "x9" "y9" "z9" "x10" "y10" "z10" "x11" "y11" "z11" "x12" "y12" "z12" "x13" "y13" "z13" "x14" "y14" "z14" "x15" "y15" "z15" ] } "parameter-values" { "source-value" [ 0.97948636 0.97033116 165.8356 0.77769484 0.25645751 0.57216722 0.75052429 0.25439999 0.22269908 0.5305608 0.8579655 0.081656552 0.5179845 0.23482177 0.28621442 0.24576471 0.068986246 0.34470534 0.61384882 0.85802465 0.79623255 0.97036011 0.22817103 0.22752223 0.15203554 0.068825165 0.54253968 0.56857434 0.14381981 0.88922176 0.21858978 0.92280184 0.4644018 0.40982364 0.075537517 0.58308723 0.66294749 0.18793109 0.91510713 0.36584314 0.9240388 0.69035582 ] } "binding-potential-energy-per-atom" { "source-value" -8.570061112611723 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.373075166657855e-18 } "binding-potential-energy-per-formula" { "source-value" -25.71018333783517 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.119225499973563e-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" "A2B_mC96_12_4i6j_2i3j" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 19.2896 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.92896e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "x1" "z1" "x2" "z2" "x3" "z3" "x4" "z4" "x5" "z5" "x6" "z6" "x7" "y7" "z7" "x8" "y8" "z8" "x9" "y9" "z9" "x10" "y10" "z10" "x11" "y11" "z11" "x12" "y12" "z12" "x13" "y13" "z13" "x14" "y14" "z14" "x15" "y15" "z15" ] } "parameter-values" { "source-value" [ 0.97948636 0.97033116 165.8356 0.77769484 0.25645751 0.57216722 0.75052429 0.25439999 0.22269908 0.5305608 0.8579655 0.081656552 0.5179845 0.23482177 0.28621442 0.24576471 0.068986246 0.34470534 0.61384882 0.85802465 0.79623255 0.97036011 0.22817103 0.22752223 0.15203554 0.068825165 0.54253968 0.56857434 0.14381981 0.88922176 0.21858978 0.92280184 0.4644018 0.40982364 0.075537517 0.58308723 0.66294749 0.18793109 0.91510713 0.36584314 0.9240388 0.69035582 ] } "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" } } ]