{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.8884438 2.916456 2.400624 ] [ 2.811423 1.824332 1.936915 ] [ 1.907829 2.277214 4.357236 ] [ 1.702277 4.831739 3.243262 ] [ 3.61245 3.93555 1.732923 ] [ 3.530316 5.918227 2.544774 ] [ 3.982422 3.894872 3.827608 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.884438000000001e-11 2.916456e-10 2.400624e-10 ] [ 2.811423e-10 1.824332e-10 1.936915e-10 ] [ 1.907829e-10 2.277214e-10 4.357236e-10 ] [ 1.702277e-10 4.831739e-10 3.243262e-10 ] [ 3.61245e-10 3.93555e-10 1.732923e-10 ] [ 3.530316e-10 5.918227e-10 2.544774e-10 ] [ 3.982422e-10 3.894872e-10 3.827608e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -10.064475 -2.0336514 -4.5994776 ] [ 2.976517 -7.5621094 -0.7047397 ] [ 0.8364673 -2.6037069 5.8784103 ] [ -12.780778 9.4191183 7.0755748 ] [ 9.3358103 -3.0441433 -20.5223346 ] [ 2.4688622 9.8778482 0.8783803 ] [ 7.2275963 -4.0533555 11.9941865 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.612506654562608e-08 -3.258268727937189e-09 -7.369175478613294e-09 ] [ 4.768905948813754e-09 -1.211583488461192e-08 -1.129117471089606e-09 ] [ 1.3401683521237e-09 -4.171598322595644e-09 9.418251550129912e-09 ] [ -2.047706370723498e-08 1.509109112880944e-08 1.133632052328163e-08 ] [ 1.495761699888384e-08 -4.87725522562496e-09 -3.288040470035492e-08 ] [ 3.955553296816853e-09 1.582605744985136e-08 1.40732038083129e-09 ] [ 1.157988581644058e-08 -6.494191417891094e-09 1.921680519581498e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 9.968853 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.597186321279194e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.6144881 3.3867136 2.3785253 ] [ 3.1706066 1.9858093 1.668345 ] [ 2.3325154 2.4437799 4.8177473 ] [ 1.1707745 5.236377 3.0893595 ] [ 3.9558658 3.4849848 0.7922663 ] [ 3.0895296 5.7958033 2.663914 ] [ 4.1013809 3.2649221 4.6331845 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.144881e-11 3.3867136e-10 2.3785253e-10 ] [ 3.1706066e-10 1.9858093e-10 1.668345e-10 ] [ 2.3325154e-10 2.4437799e-10 4.8177473e-10 ] [ 1.1707745e-10 5.236377000000001e-10 3.0893595e-10 ] [ 3.9558658e-10 3.4849848e-10 7.922663e-11 ] [ 3.0895296e-10 5.7958033e-10 2.663914e-10 ] [ 4.1013809e-10 3.2649221e-10 4.6331845e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.0800338 1.120907 1.9125187 ] [ 0.9492591 1.2159621 -1.1359929 ] [ 0.8694481 -0.688516 0.543369 ] [ -0.9332966 1.4039441 -1.6996585 ] [ 0.0483337 -1.0004734 -0.1715849 ] [ -0.9490249 -1.7427503 0.3937443 ] [ -1.0647533 -0.3090736 0.1576044 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.730404904033783e-09 1.795890989491066e-09 3.064192747982809e-09 ] [ 1.520880737101649e-09 1.948186048398872e-09 -1.820061265774792e-09 ] [ 1.393009418818981e-09 -1.103124238246733e-09 8.705731082674752e-10 ] [ -1.495305992792129e-09 2.249366413930097e-09 -2.723153112043997e-09 ] [ 7.743912413676097e-11 -1.602935091212287e-09 -2.74909315262306e-10 ] [ -1.520505507337058e-09 -2.792193786552186e-09 6.308479120332615e-10 ] [ -1.705922844179649e-09 -4.951904960264909e-10 2.525100850152115e-10 ] ] } "relaxed-potential-energy" { "source-value" -31.633852 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.068301810024733e-18 } }