[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A2B_mC96_12_g3i6j_4j" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 18.7947 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.87947e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "y1" "x2" "z2" "x3" "z3" "x4" "z4" "x5" "y5" "z5" "x6" "y6" "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" ] } "parameter-values" { "source-value" [ 0.71402576 0.40429483 78.6034 0.38660472 0.53679311 0.23750694 0.35612976 0.40741273 0.75728065 0.83980616 0.4445489 0.85570646 0.33699234 0.58401967 0.81899767 0.21090514 0.32336366 0.83275252 0.57387402 0.71692203 0.86176413 0.080868028 0.32085223 0.85239991 0.22754309 0.81344905 0.81713924 0.79681329 0.51594082 0.8881553 0.19794447 0.36046567 0.88251053 0.38735241 0.74343204 0.88328731 0.87126818 0.66549773 0.79772874 0.23204642 ] } "binding-potential-energy-per-atom" { "source-value" -6.505404512816643 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.042280710515298e-18 } "binding-potential-energy-per-formula" { "source-value" -19.51621353844993 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.126842131545893e-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_g3i6j_4j" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 18.7947 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.87947e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "y1" "x2" "z2" "x3" "z3" "x4" "z4" "x5" "y5" "z5" "x6" "y6" "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" ] } "parameter-values" { "source-value" [ 0.71402576 0.40429483 78.6034 0.38660472 0.53679311 0.23750694 0.35612976 0.40741273 0.75728065 0.83980616 0.4445489 0.85570646 0.33699234 0.58401967 0.81899767 0.21090514 0.32336366 0.83275252 0.57387402 0.71692203 0.86176413 0.080868028 0.32085223 0.85239991 0.22754309 0.81344905 0.81713924 0.79681329 0.51594082 0.8881553 0.19794447 0.36046567 0.88251053 0.38735241 0.74343204 0.88328731 0.87126818 0.66549773 0.79772874 0.23204642 ] } "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" } } ]