[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A2B_mC72_12_2ghi4j_3j" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 14.4284 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.44284e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "y1" "y2" "y3" "x4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" "x7" "y7" "z7" "x8" "y8" "z8" "x9" "y9" "z9" "x10" "y10" "z10" "x11" "y11" "z11" ] } "parameter-values" { "source-value" [ 1.5877783 0.34751601 118.5204 0.089432204 0.25502011 0.062768605 0.88691515 0.67719372 0.12132557 0.21062688 0.75027354 0.1784282 0.20418033 0.32100352 0.81791827 0.30588459 0.90165997 0.17053084 0.10916892 0.56500908 0.11501246 0.24505441 0.024951325 0.80148754 0.1776216 0.35720466 0.075246669 0.066086897 0.34564197 ] } "binding-potential-energy-per-atom" { "source-value" -13.614678083091597 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.181311910416127e-18 } "binding-potential-energy-per-formula" { "source-value" -40.84403424927479 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.54393573124838e-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_mC72_12_2ghi4j_3j" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 14.4284 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.44284e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "y1" "y2" "y3" "x4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" "x7" "y7" "z7" "x8" "y8" "z8" "x9" "y9" "z9" "x10" "y10" "z10" "x11" "y11" "z11" ] } "parameter-values" { "source-value" [ 1.5877783 0.34751601 118.5204 0.089432204 0.25502011 0.062768605 0.88691515 0.67719372 0.12132557 0.21062688 0.75027354 0.1784282 0.20418033 0.32100352 0.81791827 0.30588459 0.90165997 0.17053084 0.10916892 0.56500908 0.11501246 0.24505441 0.024951325 0.80148754 0.1776216 0.35720466 0.075246669 0.066086897 0.34564197 ] } "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" } } ]