[ { "property-id" "tag:staff@noreply.openkim.org,2024-07-10:property/elastic-constants-isothermal-npt" "instance-id" 1 "prototype-label" { "source-value" "A2B_hP3_164_d_a" } "stoichiometric-species" { "source-value" [ "Ag" "O" ] } "a" { "source-value" 2.8431 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.8431e-10 } "parameter-names" { "source-value" [ "c/a" "z2" ] } "parameter-values" { "source-value" [ 1.6633252 0.73950121 ] } "library-prototype-label" { "source-value" "AB2_hP3_164_a_d-001" } "short-name" { "source-value" [ "omega Phase" ] } "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 } "coordinates-file" { "source-value" "instance-1.poscar" } "crystal-genome-source-structure-id" { "source-value" [ "TE_984062011706_002-and-MO_959249795837_003-1711749888-tr:2" ] } "elastic-constants-names" { "source-value" [ "c11" "c12" "c13" "c14" "c33" "c44" ] } "elastic-constants-values" { "source-value" [ 2632.9683429229544 1028.7546719940856 1397.9301588927806 -569.8185317111315 2758.6959194381784 988.5718329380409 ] "source-unit" "GPa" "source-expand-uncert-value" [ 0.002973161801566793 0.0014573454411022492 0.006489423586837923 0.0014565384130455167 0.0007531127179981671 0.0002234769232689788 ] "uncert-lev-of-confid" 95.0 "si-unit" "kg / m s^2" "si-value" [ 2632968342922.955 1028754671994.086 1397930158892.781 -569818531711.1315 2758695919438.178 988571832938.0409 ] } "elasticity-matrix-raw" { "source-value" [ [ 2632.9683429229544 1028.7546719940856 1397.9301588927806 -569.8185317111315 0.0001577829956416559 -0.0002390011144958471 ] [ 1028.7546719940856 2632.9684011009385 1397.930117243564 569.8185236895177 3.5933269820592535e-05 0.00022531035819073437 ] [ 1397.9301588927806 1397.930117243564 2758.6959194381784 8.198761655210509e-05 8.504658327235657e-05 0.00043448639200303836 ] [ -569.8185317111315 569.8185236895177 8.198761655210509e-05 988.5718329380409 -5.379871676493091e-05 0.0005001943945086734 ] [ 0.0001577829956416559 3.5933269820592535e-05 8.504658327235657e-05 -5.379871676493091e-05 988.5720460762375 -569.8184534025323 ] [ -0.0002390011144958471 0.00022531035819073437 0.00043448639200303836 0.0005001943945086734 -569.8184534025323 802.1068211910956 ] ] "source-unit" "GPa" "source-expand-uncert-value" [ [ 0.002973161801566793 0.0014573454411022492 0.006489423586837923 0.0014565384130455167 0.00023936486748317196 0.0005923236633855295 ] [ 0.0014573454411022492 0.001337071220305474 0.0021597118438759946 0.0008096645803840403 0.00019549756431102091 0.0017726594110067501 ] [ 0.006489423586837923 0.0021597118438759946 0.0007531127179981671 0.00022566976584776635 0.000593059968182886 0.0012591645790666613 ] [ 0.0014565384130455167 0.0008096645803840403 0.00022566976584776635 0.0002234769232689788 0.0005356573677194685 0.0006623512353503392 ] [ 0.00023936486748317196 0.00019549756431102091 0.000593059968182886 0.0005356573677194685 0.0004613711966329961 0.0006620365197508476 ] [ 0.0005923236633855295 0.0017726594110067501 0.0012591645790666613 0.0006623512353503392 0.0006620365197508476 4.382595059583865e-05 ] ] "uncert-lev-of-confid" 95.0 "si-unit" "kg / m s^2" "si-value" [ [ 2632968342922.955 1028754671994.086 1397930158892.781 -569818531711.1315 157782.9956416559 -239001.1144958471 ] [ 1028754671994.086 2632968401100.938 1397930117243.564 569818523689.5177 35933.26982059253 225310.3581907344 ] [ 1397930158892.781 1397930117243.564 2758695919438.178 81987.61655210509 85046.58327235657 434486.3920030384 ] [ -569818531711.1315 569818523689.5177 81987.61655210509 988571832938.0409 -53798.71676493091 500194.3945086733 ] [ 157782.9956416559 35933.26982059253 85046.58327235657 -53798.71676493091 988572046076.2374 -569818453402.5323 ] [ -239001.1144958471 225310.3581907344 434486.3920030384 500194.3945086733 -569818453402.5323 802106821191.0956 ] ] } "elasticity-matrix" { "source-value" [ [ 16.43369594051534 6.420981673546123 8.725193844076722 -3.556527565772426 0.0 0.0 ] [ 6.420981673546123 16.43369594051534 8.725193844076722 3.556527565772426 0.0 0.0 ] [ 8.725193844076722 8.725193844076722 17.218425756710296 0.0 0.0 0.0 ] [ -3.556527565772426 3.556527565772426 0.0 6.170180116873921 0.0 0.0 ] [ 0.0 0.0 0.0 0.0 6.170180116873921 -3.556527565772426 ] [ 0.0 0.0 0.0 0.0 -3.556527565772426 5.006357133484608 ] ] "source-unit" "GPa" "si-unit" "kg / m s^2" "si-value" [ [ 16433695940.51534 6420981673.546124 8725193844.076723 -3556527565.772426 0.0 0.0 ] [ 6420981673.546124 16433695940.51534 8725193844.076723 3556527565.772426 0.0 0.0 ] [ 8725193844.076723 8725193844.076723 17218425756.7103 0.0 0.0 0.0 ] [ -3556527565.772426 3556527565.772426 0.0 6170180116.873921 0.0 0.0 ] [ 0.0 0.0 0.0 0.0 6170180116.873921 -3556527565.772426 ] [ 0.0 0.0 0.0 0.0 -3556527565.772426 5006357133.484608 ] ] } "distance-to-isotropy" { "source-value" 1.5429630285882927 } } { "property-id" "tag:staff@noreply.openkim.org,2024-07-10:property/bulk-modulus-isothermal-npt" "instance-id" 2 "prototype-label" { "source-value" "A2B_hP3_164_d_a" } "stoichiometric-species" { "source-value" [ "Ag" "O" ] } "a" { "source-value" 2.8431 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.8431e-10 } "parameter-names" { "source-value" [ "c/a" "z2" ] } "parameter-values" { "source-value" [ 1.6633252 0.73950121 ] } "library-prototype-label" { "source-value" "AB2_hP3_164_a_d-001" } "short-name" { "source-value" [ "omega Phase" ] } "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 } "coordinates-file" { "source-value" "instance-2.poscar" } "crystal-genome-source-structure-id" { "source-value" [ "TE_984062011706_002-and-MO_959249795837_003-1711749888-tr:2" ] } "isothermal-bulk-modulus" { "source-value" 1726.3680841912947 "source-unit" "GPa" "si-unit" "kg / m s^2" "si-value" 1726368084191.295 } } ]