[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A2B_mC168_12_e7i10j_7j" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 30.4537 "source-unit" "angstrom" } "binding-potential-energy-per-atom" { "source-value" -7.90675 "source-unit" "eV" } "binding-potential-energy-per-formula" { "source-value" -23.72025 "source-unit" "eV" } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "x2" "z2" "x3" "z3" "x4" "z4" "x5" "z5" "x6" "z6" "x7" "z7" "x8" "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" "x18" "y18" "z18" "x19" "y19" "z19" "x20" "y20" "z20" "x21" "y21" "z21" "x22" "y22" "z22" "x23" "y23" "z23" "x24" "y24" "z24" "x25" "y25" "z25" ] } "parameter-values" { "source-value" [ 0.28005464 0.9721052 155.8405 0.90392765 0.58743917 0.23009303 0.36456459 0.63437564 0.67866747 0.20127673 0.84248647 0.43691085 0.71620295 0.8453212 0.054967386 0.90173471 0.45405463 0.14255278 0.2670771 0.30911771 0.56461106 0.7794745 0.86886302 0.34898902 0.20580783 0.52008445 0.76102024 0.21262837 0.92093148 0.48411157 0.2178002 0.54354028 0.34155605 0.2665615 0.34378651 0.67614905 0.26448361 0.76127535 0.2796783 0.2688607 0.37116713 0.42728744 0.28639384 0.67339271 0.55440309 0.27864201 0.72083346 0.37631067 0.31355357 0.42763671 0.43416529 0.31741865 0.62596501 0.25100257 0.18535457 0.39222124 0.61284976 0.1870188 0.65953486 0.67238232 0.31491059 0.81056319 0.44654626 0.81487321 0.73727014 0.82234368 0.18575909 0.026297793 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "A2B_mC168_12_e7i10j_7j" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 30.4537 "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" "beta" "x2" "z2" "x3" "z3" "x4" "z4" "x5" "z5" "x6" "z6" "x7" "z7" "x8" "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" "x18" "y18" "z18" "x19" "y19" "z19" "x20" "y20" "z20" "x21" "y21" "z21" "x22" "y22" "z22" "x23" "y23" "z23" "x24" "y24" "z24" "x25" "y25" "z25" ] } "parameter-values" { "source-value" [ 0.28005464 0.9721052 155.8405 0.90392765 0.58743917 0.23009303 0.36456459 0.63437564 0.67866747 0.20127673 0.84248647 0.43691085 0.71620295 0.8453212 0.054967386 0.90173471 0.45405463 0.14255278 0.2670771 0.30911771 0.56461106 0.7794745 0.86886302 0.34898902 0.20580783 0.52008445 0.76102024 0.21262837 0.92093148 0.48411157 0.2178002 0.54354028 0.34155605 0.2665615 0.34378651 0.67614905 0.26448361 0.76127535 0.2796783 0.2688607 0.37116713 0.42728744 0.28639384 0.67339271 0.55440309 0.27864201 0.72083346 0.37631067 0.31355357 0.42763671 0.43416529 0.31741865 0.62596501 0.25100257 0.18535457 0.39222124 0.61284976 0.1870188 0.65953486 0.67238232 0.31491059 0.81056319 0.44654626 0.81487321 0.73727014 0.82234368 0.18575909 0.026297793 ] } } ]