{ "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" [ [ 0.8760834 0.5811476 0.1887226 ] [ 0.0667642 0.1957144 2.535937 ] [ 2.950388 1.045755 1.267551 ] [ 1.713434 2.554048 0.6359242 ] [ 2.757437 2.623078 2.535254 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.760833999999999e-11 5.811476e-11 1.887226e-11 ] [ 6.67642e-12 1.957144e-11 2.535937e-10 ] [ 2.950388e-10 1.045755e-10 1.267551e-10 ] [ 1.713434e-10 2.554048e-10 6.359242000000001e-11 ] [ 2.757437e-10 2.623078e-10 2.535254e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.5738541 -1.0642692 5.1695604 ] [ 2.8803047 1.7051457 -4.341479 ] [ 9.0639618 -31.6185537 -9.4079221 ] [ -12.2332603 14.3400228 -7.5794733 ] [ -1.2848603 16.6376544 16.159314 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.521592243570225e-09 -1.705147230477519e-09 8.282548812693497e-09 ] [ 4.614756851120358e-09 2.731944575597651e-09 -6.955816153494163e-09 ] [ 1.452206768778428e-08 -5.065850752164934e-08 -1.507315283892764e-08 ] [ -1.959984364882079e-08 2.297524927189895e-08 -1.214365491923783e-08 ] [ -2.058573133654074e-09 2.665646090463025e-08 2.589007509896613e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -16.619172 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.662684883545398e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8868314 0.426015 0.131178 ] [ 0.802902 0.9754708 2.2756756 ] [ 2.7665453 0.7513551 1.2575183 ] [ 1.4490166 2.4730234 0.7648382 ] [ 2.4588113 2.3738788 2.7341788 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.868314000000001e-11 4.26015e-11 1.31178e-11 ] [ 8.02902e-11 9.754708e-11 2.2756756e-10 ] [ 2.7665453e-10 7.513551e-11 1.2575183e-10 ] [ 1.4490166e-10 2.4730234e-10 7.648382e-11 ] [ 2.4588113e-10 2.3738788e-10 2.7341788e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.5e-06 6.53e-05 2.78e-05 ] [ -3.19e-05 -9.67e-05 -3.29e-05 ] [ -8e-07 -6.38e-05 1.08e-05 ] [ -1.71e-05 -1.5e-06 -2.85e-05 ] [ 4.72e-05 9.66e-05 2.28e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.005441552e-15 1.0462213333824e-13 4.454051005824e-14 ] [ -5.110943420352001e-14 -1.5493047923136e-13 -5.271161082432e-14 ] [ -1.28174129664e-15 -1.0221886840704e-13 1.730350750464e-14 ] [ -2.739722021568e-14 -2.4032649312e-15 -4.56620336928e-14 ] [ 7.562273650176e-14 1.5477026156928e-13 3.652962695424e-14 ] ] } "relaxed-potential-energy" { "source-value" -28.867458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.625076630952593e-18 } }