[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "AB3_aP16_2_2i_6i" } "stoichiometric-species" { "source-value" [ "B" "H" ] } "a" { "source-value" 7.5487 "source-unit" "angstrom" } "binding-potential-energy-per-atom" { "source-value" -4.25192 "source-unit" "eV" } "binding-potential-energy-per-formula" { "source-value" -17.00768 "source-unit" "eV" } "parameter-names" { "source-value" [ "b/a" "c/a" "alpha" "beta" "gamma" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" "x7" "y7" "z7" "x8" "y8" "z8" ] } "parameter-values" { "source-value" [ 0.80366156 0.5962881 80.4992 85.5356 90.0278 0.53821409 0.86518336 0.49004517 0.95832191 0.36326236 0.52455704 0.62748868 0.83368584 0.26979578 0.8614994 0.29545777 0.7437271 0.50009203 0.71732336 0.69557543 0.99899926 0.24784338 0.33963375 0.60830984 0.032911325 0.59611707 0.89631399 0.55399972 0.38834277 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "AB3_aP16_2_2i_6i" } "stoichiometric-species" { "source-value" [ "B" "H" ] } "a" { "source-value" 7.5487 "source-unit" "angstrom" } "cell-cauchy-stress" { "source-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] "source-unit" "eV/angstrom^3" } "temperature" { "source-value" 0.0 "source-unit" "K" } "parameter-names" { "source-value" [ "b/a" "c/a" "alpha" "beta" "gamma" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" "x7" "y7" "z7" "x8" "y8" "z8" ] } "parameter-values" { "source-value" [ 0.80366156 0.5962881 80.4992 85.5356 90.0278 0.53821409 0.86518336 0.49004517 0.95832191 0.36326236 0.52455704 0.62748868 0.83368584 0.26979578 0.8614994 0.29545777 0.7437271 0.50009203 0.71732336 0.69557543 0.99899926 0.24784338 0.33963375 0.60830984 0.032911325 0.59611707 0.89631399 0.55399972 0.38834277 ] } } ]