[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A2B_mP84_10_i4m3n10o_7o" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 12.6499 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.26499e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "y1" "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" [ 0.68461411 1.2146183 74.2177 0.78095878 0.62453856 0.76937915 0.35079584 0.596813 0.96887347 0.89609623 0.3438338 0.89026223 0.5801262 0.59333263 0.19614599 0.7753453 0.26886812 0.082374443 0.69131336 0.74779887 0.83354782 0.65328349 0.2494023 0.50011452 0.33373164 0.24550151 0.99129021 0.078602552 0.24926211 0.82621309 0.27855641 0.26248532 0.83941038 0.48636063 0.2171959 0.83469915 0.62973969 0.74013658 0.67972837 0.86222801 0.73904361 0.90159479 0.25061011 0.75333637 0.67948168 0.46258073 0.24703982 0.6126572 0.36108923 0.18460331 0.88934135 0.61225227 0.81536387 0.77780064 0.58550976 0.31537907 0.59698434 0.34809156 0.81502843 0.5975912 0.19854725 0.31558397 0.77885411 0.97647344 0.81515524 0.90355982 0.26225799 0.68426589 0.086251554 ] } "binding-potential-energy-per-atom" { "source-value" -19.32421105092048 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.096079941626937e-18 } "binding-potential-energy-per-formula" { "source-value" -57.97263315276143 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.288239824880811e-18 } "coordinates-file" { "source-value" "instance-1.poscar" } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "A2B_mP84_10_i4m3n10o_7o" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 12.6499 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.26499e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "y1" "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" [ 0.68461411 1.2146183 74.2177 0.78095878 0.62453856 0.76937915 0.35079584 0.596813 0.96887347 0.89609623 0.3438338 0.89026223 0.5801262 0.59333263 0.19614599 0.7753453 0.26886812 0.082374443 0.69131336 0.74779887 0.83354782 0.65328349 0.2494023 0.50011452 0.33373164 0.24550151 0.99129021 0.078602552 0.24926211 0.82621309 0.27855641 0.26248532 0.83941038 0.48636063 0.2171959 0.83469915 0.62973969 0.74013658 0.67972837 0.86222801 0.73904361 0.90159479 0.25061011 0.75333637 0.67948168 0.46258073 0.24703982 0.6126572 0.36108923 0.18460331 0.88934135 0.61225227 0.81536387 0.77780064 0.58550976 0.31537907 0.59698434 0.34809156 0.81502843 0.5975912 0.19854725 0.31558397 0.77885411 0.97647344 0.81515524 0.90355982 0.26225799 0.68426589 0.086251554 ] } "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" } } ]