[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A_hR105_166_ac9h4i" } "stoichiometric-species" { "source-value" [ "B" ] } "a" { "source-value" 8.6470601 "source-unit" "angstrom" "si-unit" "m" "si-value" 8.647060099999999e-10 } "parameter-names" { "source-value" [ "c/a" "x2" "x3" "z3" "x4" "z4" "x5" "z5" "x6" "z6" "x7" "z7" "x8" "z8" "x9" "z9" "x10" "z10" "x11" "z11" "x12" "y12" "z12" "x13" "y13" "z13" "x14" "y14" "z14" "x15" "y15" "z15" ] } "parameter-values" { "source-value" [ 2.1229102 0.08268573 0.46152332 0.2726874 0.41321024 0.71417377 0.42424515 0.94199029 0.37081096 0.18253159 0.2096432 0.8892108 0.28311657 0.096333857 0.12220861 0.79825444 0.94154804 0.49069799 0.077384524 0.28930574 0.12241307 0.31932277 0.60181291 0.98853373 0.17894642 0.65795159 0.69956246 0.21180121 0.39828153 0.77636816 0.10015833 0.59135474 ] } "binding-potential-energy-per-atom" { "source-value" -19.896332400946935 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.18774388750943e-18 } "binding-potential-energy-per-formula" { "source-value" -19.896332400946935 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.18774388750943e-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_hR105_166_ac9h4i" } "stoichiometric-species" { "source-value" [ "B" ] } "a" { "source-value" 8.6470601 "source-unit" "angstrom" "si-unit" "m" "si-value" 8.647060099999999e-10 } "parameter-names" { "source-value" [ "c/a" "x2" "x3" "z3" "x4" "z4" "x5" "z5" "x6" "z6" "x7" "z7" "x8" "z8" "x9" "z9" "x10" "z10" "x11" "z11" "x12" "y12" "z12" "x13" "y13" "z13" "x14" "y14" "z14" "x15" "y15" "z15" ] } "parameter-values" { "source-value" [ 2.1229102 0.08268573 0.46152332 0.2726874 0.41321024 0.71417377 0.42424515 0.94199029 0.37081096 0.18253159 0.2096432 0.8892108 0.28311657 0.096333857 0.12220861 0.79825444 0.94154804 0.49069799 0.077384524 0.28930574 0.12241307 0.31932277 0.60181291 0.98853373 0.17894642 0.65795159 0.69956246 0.21180121 0.39828153 0.77636816 0.10015833 0.59135474 ] } "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" } } ]