[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A2B_aP48_2_16i_8i" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 11.6526 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.16526e-09 } "binding-potential-energy-per-atom" { "source-value" -13.664078616153844 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.189226748394074e-18 } "binding-potential-energy-per-formula" { "source-value" -40.99223584846153 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.567680245182223e-18 } "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" "x18" "y18" "z18" "x19" "y19" "z19" "x20" "y20" "z20" "x21" "y21" "z21" "x22" "y22" "z22" "x23" "y23" "z23" "x24" "y24" "z24" ] } "parameter-values" { "source-value" [ 1.0051576 0.64380482 93.4783 96.2841 104.6971 0.5249629 0.86511982 0.078489204 0.36763568 0.37891767 0.40549152 0.46924571 0.46219381 0.72698587 0.38558622 0.22938821 0.65143636 0.30958784 0.47809991 0.11355101 0.44832147 0.32297517 0.10944563 0.23028742 0.7680753 0.49964122 0.16024612 0.53806302 0.5215487 0.17978516 0.62066462 0.2031866 0.0020369683 0.64209012 0.38514026 0.43726587 0.86569963 0.39160163 0.35439971 0.99218286 0.62760375 0.43091339 0.81153369 0.72633122 0.14615067 0.51193193 0.86468688 0.34051342 0.68226179 0.97679813 0.23404645 0.36774914 0.66913444 0.36189251 0.35660825 0.61623762 0.4116247 0.42803994 0.22028611 0.14272344 0.64502696 0.4014863 0.36014397 0.85967246 0.56024295 0.13314174 0.44065822 0.66758886 0.24064419 0.57378363 0.039741166 0.46339722 0.76221344 0.91716723 0.55825759 0.87905913 0.29594875 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "A2B_aP48_2_16i_8i" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 11.6526 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.16526e-09 } "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" "x18" "y18" "z18" "x19" "y19" "z19" "x20" "y20" "z20" "x21" "y21" "z21" "x22" "y22" "z22" "x23" "y23" "z23" "x24" "y24" "z24" ] } "parameter-values" { "source-value" [ 1.0051576 0.64380482 93.4783 96.2841 104.6971 0.5249629 0.86511982 0.078489204 0.36763568 0.37891767 0.40549152 0.46924571 0.46219381 0.72698587 0.38558622 0.22938821 0.65143636 0.30958784 0.47809991 0.11355101 0.44832147 0.32297517 0.10944563 0.23028742 0.7680753 0.49964122 0.16024612 0.53806302 0.5215487 0.17978516 0.62066462 0.2031866 0.0020369683 0.64209012 0.38514026 0.43726587 0.86569963 0.39160163 0.35439971 0.99218286 0.62760375 0.43091339 0.81153369 0.72633122 0.14615067 0.51193193 0.86468688 0.34051342 0.68226179 0.97679813 0.23404645 0.36774914 0.66913444 0.36189251 0.35660825 0.61623762 0.4116247 0.42803994 0.22028611 0.14272344 0.64502696 0.4014863 0.36014397 0.85967246 0.56024295 0.13314174 0.44065822 0.66758886 0.24064419 0.57378363 0.039741166 0.46339722 0.76221344 0.91716723 0.55825759 0.87905913 0.29594875 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 3 "prototype-label" { "source-value" "A2B_aP48_2_16i_8i" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 12.7044 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.27044e-09 } "binding-potential-energy-per-atom" { "source-value" -13.677722383243633 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.191412720877174e-18 } "binding-potential-energy-per-formula" { "source-value" -41.0331671497309 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.574238162631523e-18 } "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" "x18" "y18" "z18" "x19" "y19" "z19" "x20" "y20" "z20" "x21" "y21" "z21" "x22" "y22" "z22" "x23" "y23" "z23" "x24" "y24" "z24" ] } "parameter-values" { "source-value" [ 0.40044394 1.1946806 88.9134 102.9023 79.3036 0.57141856 0.37406244 0.10957109 0.96754745 0.020780687 0.62236354 0.82922284 0.95510628 0.28754892 0.13397994 0.87644038 0.54820866 0.24345551 0.0020141644 0.43006351 0.81555354 0.47176137 0.56916785 0.3356422 0.32753184 0.34200613 0.48437466 0.62199698 0.32645337 0.46076341 0.90174237 0.65227985 0.41766121 0.31050322 0.19277775 0.27155711 0.34760782 0.8338852 0.31356279 0.31775079 0.67377222 0.37991739 0.28421506 0.52104367 0.38598615 0.29840204 0.0099382634 0.47928523 0.10146071 0.88371392 0.11861477 0.57111376 0.68557193 0.096000096 0.87641823 0.64370619 0.44085374 0.34709797 0.30086478 0.21663682 0.31961406 0.7283051 0.28571696 0.28306627 0.42876839 0.41843673 0.22116593 0.62971591 0.38739841 0.34818201 0.90416574 0.47021432 0.21759335 0.10821496 0.14863827 0.84369909 0.4451552 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 4 "prototype-label" { "source-value" "A2B_aP48_2_16i_8i" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 12.7044 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.27044e-09 } "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" "x18" "y18" "z18" "x19" "y19" "z19" "x20" "y20" "z20" "x21" "y21" "z21" "x22" "y22" "z22" "x23" "y23" "z23" "x24" "y24" "z24" ] } "parameter-values" { "source-value" [ 0.40044394 1.1946806 88.9134 102.9023 79.3036 0.57141856 0.37406244 0.10957109 0.96754745 0.020780687 0.62236354 0.82922284 0.95510628 0.28754892 0.13397994 0.87644038 0.54820866 0.24345551 0.0020141644 0.43006351 0.81555354 0.47176137 0.56916785 0.3356422 0.32753184 0.34200613 0.48437466 0.62199698 0.32645337 0.46076341 0.90174237 0.65227985 0.41766121 0.31050322 0.19277775 0.27155711 0.34760782 0.8338852 0.31356279 0.31775079 0.67377222 0.37991739 0.28421506 0.52104367 0.38598615 0.29840204 0.0099382634 0.47928523 0.10146071 0.88371392 0.11861477 0.57111376 0.68557193 0.096000096 0.87641823 0.64370619 0.44085374 0.34709797 0.30086478 0.21663682 0.31961406 0.7283051 0.28571696 0.28306627 0.42876839 0.41843673 0.22116593 0.62971591 0.38739841 0.34818201 0.90416574 0.47021432 0.21759335 0.10821496 0.14863827 0.84369909 0.4451552 ] } } ]