{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.7481215 0.3697243 2.264709 ] [ 0.2413431 2.204484 1.035234 ] [ 2.632044 0.6504598 2.339521 ] [ 2.588426 1.874203 0.0457334 ] [ 2.842468 2.848588 2.160611 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.481215e-11 3.697243e-11 2.264709e-10 ] [ 2.413431e-11 2.204484e-10 1.035234e-10 ] [ 2.632044e-10 6.504598e-11 2.339521e-10 ] [ 2.588426e-10 1.874203e-10 4.57334e-12 ] [ 2.842468e-10 2.848588e-10 2.160611e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -9.4922995 3.5597866 -4.0041531 ] [ 0.6988066 -5.0632997 3.2991262 ] [ 8.066382 1.5358752 0.9274323 ] [ 0.8877267 3.5725589 7.1575485 ] [ -0.1606159 -3.6049211 -7.3799539 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.520834033653153e-08 5.703406865557121e-09 -6.415360482923845e-09 ] [ 1.119611596980738e-09 -8.112300403443654e-09 5.285782866708745e-09 ] [ 1.292376865484195e-08 2.460743337906524e-09 1.485910348434772e-09 ] [ 1.422294964399935e-09 5.723870346010966e-09 1.146765686894211e-08 ] [ -2.573350399087507e-10 -5.775720306248618e-09 -1.182398960116178e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -6.3353088 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.01502836449085e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.6847811 0.4270568 2.1719338 ] [ -0.3932294 1.936613 0.9816202 ] [ 2.6784083 0.6573359 3.080657 ] [ 2.7099616 2.5639259 -0.2364599 ] [ 3.372481 2.3625275 1.8480573 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.847811e-11 4.270568e-11 2.1719338e-10 ] [ -3.932294e-11 1.936613e-10 9.816202e-11 ] [ 2.6784083e-10 6.573359e-11 3.080657e-10 ] [ 2.709961600000001e-10 2.5639259e-10 -2.364599e-11 ] [ 3.372481e-10 2.3625275e-10 1.8480573e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.6312374 0.2444896 -0.1969348 ] [ -0.0595549 -0.4610375 0.1671108 ] [ 0.5787387 0.8024498 -0.2790886 ] [ 0.102764 0.3639399 -0.3812403 ] [ 0.0092897 -0.9498418 0.6901528 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.011353804454578e-09 3.917155211487437e-10 -3.155243323819238e-10 ] [ -9.541746843408193e-11 -7.3866350381208e-10 2.677410168431847e-10 ] [ 9.272416146921851e-10 1.285666308925636e-09 -4.471492300518029e-10 ] [ 1.646460782598912e-10 5.830959991562899e-10 -6.108142955667782e-10 ] [ 1.488374015424576e-11 -1.521814325418589e-09 1.105746680939658e-09 ] ] } "relaxed-potential-energy" { "source-value" -10.002877 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.602637567013804e-18 } }