{ "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" [ [ 0.9136055 0.1992462 0.0711002 ] [ 0.7203108 0.3740979 2.589381 ] [ 1.027468 2.872573 2.429267 ] [ 2.566191 2.896163 0.5924317 ] [ 2.633567 2.125326 2.686178 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.136055e-11 1.992462e-11 7.11002e-12 ] [ 7.203108000000001e-11 3.740979e-11 2.589381e-10 ] [ 1.027468e-10 2.872573e-10 2.429267e-10 ] [ 2.566191e-10 2.896163e-10 5.924317e-11 ] [ 2.633567e-10 2.125326e-10 2.686178e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.0778768 0.27177 1.0321633 ] [ 0.6188796 0.9503554 -1.4395579 ] [ -13.9675283 6.2161691 -2.4112409 ] [ -0.7506107 -0.295388 -0.6647304 ] [ 14.0213826 -7.1429066 3.4833659 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.247723882627174e-10 4.35423540234816e-10 1.653707908107777e-09 ] [ 9.915544262100555e-10 1.522637203331032e-09 -2.306426011667944e-09 ] [ -2.237844729262237e-08 9.959400802959378e-09 -3.863233797096751e-09 ] [ -1.202610914862322e-09 -4.732637476648704e-10 -1.065015506015033e-09 ] [ 2.246473139301192e-08 -1.144419795907802e-08 5.580967406671951e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -0.8071493992349481 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.293195896946999e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.1785651 0.503503 0.2010551 ] [ 0.8178274 0.5863154 2.5234279 ] [ 0.8100845 2.9496695 2.3786096 ] [ 2.2501887 2.5695484 0.5379346 ] [ 2.8044766 1.8583698 2.7273307 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1785651e-10 5.03503e-11 2.010551e-11 ] [ 8.178274e-11 5.863154e-11 2.523427900000001e-10 ] [ 8.100845e-11 2.9496695e-10 2.3786096e-10 ] [ 2.2501887e-10 2.5695484e-10 5.379346e-11 ] [ 2.8044766e-10 1.8583698e-10 2.7273307e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.6e-06 1.6e-06 2e-06 ] [ 4e-06 1.38e-05 -1.43e-05 ] [ 7.3e-06 -1.9e-06 -4e-07 ] [ -2.02e-05 -1.08e-05 3.3e-06 ] [ 2.3e-06 -2.8e-06 9.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.057436569728e-14 2.56348259328e-15 3.2043532416e-15 ] [ 6.4087064832e-15 2.211003736704e-14 -2.291112567744e-14 ] [ 1.169588933184e-14 -3.04413557952e-15 -6.408706483200001e-16 ] [ -3.236396774016e-14 -1.730350750464e-14 5.28718284864e-15 ] [ 3.68500622784e-15 -4.48609453824e-15 1.52206778976e-14 ] ] } "relaxed-potential-energy" { "source-value" -5.092110399234951 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.158460232186793e-19 } }