[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A11B6_aP34_2_11i_6i" } "stoichiometric-species" { "source-value" [ "O" "Ti" ] } "a" { "source-value" 5.5312 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.5312e-10 } "binding-potential-energy-per-atom" { "source-value" -6.992348195149612 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.120297689506078e-18 } "binding-potential-energy-per-formula" { "source-value" -118.8699193175434 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.904506072160333e-17 } "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" "x12" "y12" "z12" "x13" "y13" "z13" "x14" "y14" "z14" "x15" "y15" "z15" "x16" "y16" "z16" "x17" "y17" "z17" ] } "parameter-values" { "source-value" [ 1.738827 1.2841698 89.47 108.9038 100.0063 0.20268805 0.53521546 0.4583068 0.90435578 0.9701394 0.64086544 0.11974208 0.89344553 0.019488496 0.63081527 0.84887447 0.077077392 0.44157962 0.79639799 0.35891449 0.94917869 0.74541377 0.41930517 0.65750095 0.71526109 0.74164216 0.17653974 0.6429995 0.79507187 0.99423668 0.6050933 0.093710534 0.47438544 0.5677977 0.1752658 0.40984236 0.92271951 0.69738981 0.76629003 0.91175608 0.85885448 0.76934765 0.91149948 0.35866676 0.30478309 0.73430201 0.074868818 0.30651167 0.73419394 0.57300277 0.82563897 0.55669629 0.80114291 0.83106596 0.55680998 0.29835261 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "A11B6_aP34_2_11i_6i" } "stoichiometric-species" { "source-value" [ "O" "Ti" ] } "a" { "source-value" 5.5312 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.5312e-10 } "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 } "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" "x12" "y12" "z12" "x13" "y13" "z13" "x14" "y14" "z14" "x15" "y15" "z15" "x16" "y16" "z16" "x17" "y17" "z17" ] } "parameter-values" { "source-value" [ 1.738827 1.2841698 89.47 108.9038 100.0063 0.20268805 0.53521546 0.4583068 0.90435578 0.9701394 0.64086544 0.11974208 0.89344553 0.019488496 0.63081527 0.84887447 0.077077392 0.44157962 0.79639799 0.35891449 0.94917869 0.74541377 0.41930517 0.65750095 0.71526109 0.74164216 0.17653974 0.6429995 0.79507187 0.99423668 0.6050933 0.093710534 0.47438544 0.5677977 0.1752658 0.40984236 0.92271951 0.69738981 0.76629003 0.91175608 0.85885448 0.76934765 0.91149948 0.35866676 0.30478309 0.73430201 0.074868818 0.30651167 0.73419394 0.57300277 0.82563897 0.55669629 0.80114291 0.83106596 0.55680998 0.29835261 ] } } ]