{ "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" [ [ 1.662864 2.785445 0.9951273 ] [ 1.604551 1.254517 2.754062 ] [ 1.304297 2.979259 4.142484 ] [ 2.049326 4.702389 2.752286 ] [ 3.428978 2.585226 4.349041 ] [ 3.762165 3.432195 2.245626 ] [ 3.938407 4.831482 3.738967 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.662864e-10 2.785445e-10 9.951273000000001e-11 ] [ 1.604551e-10 1.254517e-10 2.754062e-10 ] [ 1.304297e-10 2.979259e-10 4.142484e-10 ] [ 2.049326e-10 4.702389e-10 2.752286e-10 ] [ 3.428978e-10 2.585226e-10 4.349041e-10 ] [ 3.762165e-10 3.432195e-10 2.245626e-10 ] [ 3.938407e-10 4.831482000000001e-10 3.738967e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.253771 1.993941 -0.7632318 ] [ -0.6051582 -6.1932781 -2.5457316 ] [ -12.4808305 4.1815243 5.6235409 ] [ -23.9650829 9.666444 -5.7923296 ] [ 9.3259741 -8.4501295 8.4834334 ] [ 11.6256516 -20.6979852 -26.1482982 ] [ 14.8456749 19.4994834 21.1426169 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.008762600586814e-09 3.194645679774594e-09 -1.222832156285761e-09 ] [ -9.695703279134985e-10 -9.922725459683914e-09 -4.078711685955434e-09 ] [ -1.999649500001453e-08 6.699540527963206e-09 9.009905830323329e-09 ] [ -3.839629585425295e-08 1.548735071066949e-08 -9.280335141546566e-09 ] [ 1.494185779230918e-08 -1.35386000391741e-08 1.359195876957517e-08 ] [ 1.862634734854471e-08 -3.316182825831782e-08 -4.189419239490426e-08 ] [ 2.378539344074028e-08 3.124161667855087e-08 3.387420677879351e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -8.2305395 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.318677807211404e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9889374 3.0787057 1.0896191 ] [ 1.6467345 1.3618502 2.823654 ] [ 1.0877707 3.1424171 4.475263 ] [ 1.4302881 4.8582729 2.7403004 ] [ 3.5508907 2.3100859 4.3260035 ] [ 4.3024647 3.0193056 1.9355736 ] [ 3.743502 4.7998757 3.5871797 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9889374e-10 3.0787057e-10 1.0896191e-10 ] [ 1.6467345e-10 1.3618502e-10 2.823654e-10 ] [ 1.0877707e-10 3.1424171e-10 4.475263e-10 ] [ 1.4302881e-10 4.8582729e-10 2.7403004e-10 ] [ 3.5508907e-10 2.3100859e-10 4.3260035e-10 ] [ 4.3024647e-10 3.0193056e-10 1.9355736e-10 ] [ 3.743502e-10 4.7998757e-10 3.5871797e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3e-07 -1e-07 -1.44e-05 ] [ -1.2e-05 1.2e-06 1.38e-05 ] [ 4e-07 -9.6e-06 -3e-07 ] [ -2e-07 -4.8e-06 -6e-06 ] [ -1.2e-06 -4e-06 5.3e-06 ] [ -8e-07 1.87e-05 1.8e-06 ] [ 1.41e-05 -1.4e-06 -3e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.806529901999999e-16 -1.602176634e-16 -2.30713435296e-14 ] [ -1.9226119608e-14 1.9226119608e-15 2.21100375492e-14 ] [ 6.408706536e-16 -1.53808956864e-14 -4.806529901999999e-16 ] [ -3.204353268e-16 -7.690447843199998e-15 -9.613059803999999e-15 ] [ -1.9226119608e-15 -6.408706535999999e-15 8.4915361602e-15 ] [ -1.2817413072e-15 2.99607030558e-14 2.8839179412e-15 ] [ 2.25906905394e-14 -2.2430472876e-15 -4.806529901999999e-16 ] ] } "relaxed-potential-energy" { "source-value" -21.757316 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.485906331375434e-18 } }