{ "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" [ [ 1.43906 1.00085 1.609326 ] [ 1.205531 2.018769 3.811036 ] [ 1.566383 3.683465 1.956037 ] [ 3.913976 1.646449 1.998722 ] [ 3.334697 0.9502568 4.182978 ] [ 3.589337 3.768444 1.401362 ] [ 3.236168 3.404887 3.941176 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.43906e-10 1.00085e-10 1.609326e-10 ] [ 1.205531e-10 2.018769e-10 3.811036e-10 ] [ 1.566383e-10 3.683465e-10 1.956037e-10 ] [ 3.913976e-10 1.646449e-10 1.998722e-10 ] [ 3.334697e-10 9.502568000000001e-11 4.182978000000001e-10 ] [ 3.589337e-10 3.768444e-10 1.401362e-10 ] [ 3.236168e-10 3.404887e-10 3.941176e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.3153114 -1.1370026 -1.9143085 ] [ -6.0154547 -1.7688702 3.1565078 ] [ -9.2809608 4.5189153 -2.8439856 ] [ 5.4648365 -7.6307156 -4.8742401 ] [ 1.9895876 -3.7389877 3.1371558 ] [ 4.9333567 3.5730297 -4.2655277 ] [ 3.2239462 6.1836311 7.6043984 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.051845533517171e-10 -1.821678983508814e-09 -3.067060323698717e-09 ] [ -9.637820883821478e-09 -2.834042479669821e-09 5.057283000532842e-09 ] [ -1.486973841232127e-08 7.240100445035418e-09 -4.556567238211861e-09 ] [ 8.7556332767945e-09 -1.222575413429385e-08 -7.809393532385853e-09 ] [ 3.187670737753582e-09 -5.990518678398765e-09 5.026277678567121e-09 ] [ 7.90410876680704e-09 5.724624650764038e-09 -6.834128756314796e-09 ] [ 5.165331228357001e-09 9.907269180071787e-09 1.218358933172893e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -13.815419 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.213474132835612e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4572031 0.9941273 1.2440095 ] [ 0.9563142 1.7361588 3.6923841 ] [ 1.196909 3.5193123 1.8370524 ] [ 3.76198 1.3109803 1.847421 ] [ 3.2719395 1.4494027 4.2399753 ] [ 3.5824213 3.7505243 1.8457212 ] [ 4.058385 3.7126151 4.1940736 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4572031e-10 9.941273000000001e-11 1.2440095e-10 ] [ 9.563142e-11 1.7361588e-10 3.6923841e-10 ] [ 1.196909e-10 3.5193123e-10 1.8370524e-10 ] [ 3.76198e-10 1.3109803e-10 1.847421e-10 ] [ 3.2719395e-10 1.4494027e-10 4.2399753e-10 ] [ 3.5824213e-10 3.7505243e-10 1.8457212e-10 ] [ 4.058385000000001e-10 3.7126151e-10 4.1940736e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.19e-05 -1.97e-05 -1.64e-05 ] [ -3e-07 -2.1e-06 6.2e-06 ] [ -0.0 1.18e-05 7.6e-06 ] [ 4.5e-06 1e-07 -1e-07 ] [ 1.1e-06 2.1e-06 5e-06 ] [ 1.21e-05 4.8e-06 2.8e-06 ] [ -5.4e-06 3e-06 -5.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.906590178752e-14 -3.156287942976e-14 -2.627569658112e-14 ] [ -4.8065298624e-16 -3.36457090368e-15 9.93349504896e-15 ] [ 0.0 1.890568412544e-14 1.217654231808e-14 ] [ 7.2097947936e-15 1.6021766208e-16 -1.6021766208e-16 ] [ 1.76239428288e-15 3.36457090368e-15 8.010883104e-15 ] [ 1.938633711168e-14 7.69044777984e-15 4.48609453824e-15 ] [ -8.65175375232e-15 4.8065298624e-15 -8.17110076608e-15 ] ] } "relaxed-potential-energy" { "source-value" -19.086282 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.057959479839587e-18 } }