[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A_oI120_71_lmn6o" } "stoichiometric-species" { "source-value" [ "C" ] } "a" { "source-value" 14.4449 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.44449e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "y1" "z1" "x2" "z2" "x3" "y3" "x4" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" "x7" "y7" "z7" "x8" "y8" "z8" "x9" "y9" "z9" ] } "parameter-values" { "source-value" [ 0.64112593 0.64392277 0.58808763 0.090400527 0.94333444 0.41020777 0.75489566 0.92052974 0.81880926 0.92013724 0.25438161 0.89838407 0.87196112 0.33667472 0.78777074 0.84111999 0.12632275 0.94849334 0.74536414 0.28607008 0.83895941 0.71221668 0.079548687 0.91859375 0.66272164 0.16093224 ] } "binding-potential-energy-per-atom" { "source-value" -8.2856851258394 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.327513110530124e-18 } "binding-potential-energy-per-formula" { "source-value" -8.2856851258394 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.327513110530124e-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" "A_oI120_71_lmn6o" } "stoichiometric-species" { "source-value" [ "C" ] } "a" { "source-value" 14.4449 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.44449e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "y1" "z1" "x2" "z2" "x3" "y3" "x4" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" "x7" "y7" "z7" "x8" "y8" "z8" "x9" "y9" "z9" ] } "parameter-values" { "source-value" [ 0.64112593 0.64392277 0.58808763 0.090400527 0.94333444 0.41020777 0.75489566 0.92052974 0.81880926 0.92013724 0.25438161 0.89838407 0.87196112 0.33667472 0.78777074 0.84111999 0.12632275 0.94849334 0.74536414 0.28607008 0.83895941 0.71221668 0.079548687 0.91859375 0.66272164 0.16093224 ] } "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" } } ]