[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A7B4_aP22_2_7i_4i" } "stoichiometric-species" { "source-value" [ "O" "Ti" ] } "a" { "source-value" 5.6586 "source-unit" "angstrom" } "binding-potential-energy-per-atom" { "source-value" -8.81063 "source-unit" "eV" } "binding-potential-energy-per-formula" { "source-value" -96.91693 "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" "x9" "y9" "z9" "x10" "y10" "z10" "x11" "y11" "z11" ] } "parameter-values" { "source-value" [ 1.195384 2.0951472 98.15 86.6621 105.5247 0.094947819 0.84670575 0.98661931 0.55806074 0.81859301 0.056346683 0.87276614 0.53819515 0.10615909 0.29595614 0.42879962 0.11819207 0.52752196 0.19846009 0.21827623 0.99576091 0.036123859 0.20964443 0.57235345 0.73970636 0.27799887 0.1920895 0.12191137 0.085429436 0.21043973 0.64207915 0.042745562 0.58934333 0.48141207 0.19559846 0.66361764 0.96425516 0.19853512 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "A7B4_aP22_2_7i_4i" } "stoichiometric-species" { "source-value" [ "O" "Ti" ] } "a" { "source-value" 5.6586 "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" "x9" "y9" "z9" "x10" "y10" "z10" "x11" "y11" "z11" ] } "parameter-values" { "source-value" [ 1.195384 2.0951472 98.15 86.6621 105.5247 0.094947819 0.84670575 0.98661931 0.55806074 0.81859301 0.056346683 0.87276614 0.53819515 0.10615909 0.29595614 0.42879962 0.11819207 0.52752196 0.19846009 0.21827623 0.99576091 0.036123859 0.20964443 0.57235345 0.73970636 0.27799887 0.1920895 0.12191137 0.085429436 0.21043973 0.64207915 0.042745562 0.58934333 0.48141207 0.19559846 0.66361764 0.96425516 0.19853512 ] } } ]