[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "AB_hP38_156_7a6b6c_7a6b6c" } "stoichiometric-species" { "source-value" [ "C" "Si" ] } "a" { "source-value" 3.0643 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.0643e-10 } "parameter-names" { "source-value" [ "c/a" "z1" "z2" "z3" "z4" "z5" "z6" "z7" "z8" "z9" "z10" "z11" "z12" "z13" "z14" "z15" "z16" "z17" "z18" "z19" "z20" "z21" "z22" "z23" "z24" "z25" "z26" "z27" "z28" "z29" "z30" "z31" "z32" "z33" "z34" "z35" "z36" "z37" "z38" ] } "parameter-values" { "source-value" [ 15.785824 0.14466036 0.25010472 0.46053083 0.61818283 0.93383683 0.82842385 0.039248531 0.21100035 0.57898252 0.00017587538 0.10558758 0.78942616 0.42133153 0.89476447 0.51316359 0.40771922 0.30230611 0.092063095 0.88124171 0.7235897 0.84204139 0.6843904 0.052862743 0.47405922 0.36864674 0.26330843 0.67077809 0.98665142 0.77622246 0.56536498 0.35512396 0.19747195 0.63170561 0.94745106 0.5263673 0.73711809 0.31592365 0.15827266 ] } "binding-potential-energy-per-atom" { "source-value" -6.370118541864659 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.020605508358571e-18 } "binding-potential-energy-per-formula" { "source-value" -12.740237083729317 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.041211016717141e-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" "AB_hP38_156_7a6b6c_7a6b6c" } "stoichiometric-species" { "source-value" [ "C" "Si" ] } "a" { "source-value" 3.0643 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.0643e-10 } "parameter-names" { "source-value" [ "c/a" "z1" "z2" "z3" "z4" "z5" "z6" "z7" "z8" "z9" "z10" "z11" "z12" "z13" "z14" "z15" "z16" "z17" "z18" "z19" "z20" "z21" "z22" "z23" "z24" "z25" "z26" "z27" "z28" "z29" "z30" "z31" "z32" "z33" "z34" "z35" "z36" "z37" "z38" ] } "parameter-values" { "source-value" [ 15.785824 0.14466036 0.25010472 0.46053083 0.61818283 0.93383683 0.82842385 0.039248531 0.21100035 0.57898252 0.00017587538 0.10558758 0.78942616 0.42133153 0.89476447 0.51316359 0.40771922 0.30230611 0.092063095 0.88124171 0.7235897 0.84204139 0.6843904 0.052862743 0.47405922 0.36864674 0.26330843 0.67077809 0.98665142 0.77622246 0.56536498 0.35512396 0.19747195 0.63170561 0.94745106 0.5263673 0.73711809 0.31592365 0.15827266 ] } "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" } } ]