{ "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" [ [ 2.384535 1.809355 2.901981 ] [ 1.948299 3.967012 2.633856 ] [ 1.645033 3.274995 4.707865 ] [ 4.440095 1.758867 2.666287 ] [ 3.649735 2.240012 5.07701 ] [ 4.164388 4.024114 1.736165 ] [ 3.303688 4.596831 4.046686 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.384535e-10 1.809355e-10 2.901981e-10 ] [ 1.948299e-10 3.967012e-10 2.633856000000001e-10 ] [ 1.645033e-10 3.274995e-10 4.707865e-10 ] [ 4.440095e-10 1.758867e-10 2.666287e-10 ] [ 3.649735e-10 2.240012e-10 5.07701e-10 ] [ 4.164388e-10 4.024114e-10 1.736165e-10 ] [ 3.303688e-10 4.596831e-10 4.046686e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -17.2649978 -33.6735023 -15.9340909 ] [ -17.358039 10.4848604 -20.5215957 ] [ -19.1932688 -0.8821373 21.7386299 ] [ 12.2001856 -6.1190206 -5.6549699 ] [ 11.9950959 -8.1667958 18.1568898 ] [ 13.3296243 6.3635167 -11.5534794 ] [ 16.2913997 31.9930789 13.7686163 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.766157583332343e-08 -5.395089812551503e-08 -2.552922791368203e-08 ] [ -2.781064426873462e-08 1.679859820523174e-08 -3.287922085204981e-08 ] [ -3.075100654809007e-08 -1.413339758395636e-09 3.482912459400384e-08 ] [ 1.954685213774082e-08 -9.803751747513588e-09 -9.060260565107715e-09 ] [ 1.921826221523394e-08 -1.308464929760763e-08 2.909054434400199e-08 ] [ 2.135641241750756e-08 1.019547768281037e-08 -1.851071458357441e-08 ] [ 2.610169971944813e-08 5.125856304098978e-08 2.20597551366258e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 15.662593 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.509424032570574e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5919018 1.4257646 1.8110669 ] [ 1.5663828 3.4676811 2.4214006 ] [ 1.4799181 3.2587524 4.7746847 ] [ 4.0856668 0.9797916 3.5932385 ] [ 3.7820898 2.8061591 5.0649189 ] [ 3.2680255 5.089508 2.1611817 ] [ 4.7617881 4.6435291 3.9433587 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5919018e-10 1.4257646e-10 1.8110669e-10 ] [ 1.5663828e-10 3.4676811e-10 2.4214006e-10 ] [ 1.4799181e-10 3.2587524e-10 4.7746847e-10 ] [ 4.085666800000001e-10 9.797916e-11 3.5932385e-10 ] [ 3.7820898e-10 2.8061591e-10 5.0649189e-10 ] [ 3.2680255e-10 5.089508e-10 2.1611817e-10 ] [ 4.761788100000001e-10 4.6435291e-10 3.9433587e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.7e-06 9.9e-06 -1.75e-05 ] [ -3.1e-06 1.06e-05 -7.7e-06 ] [ -8.3e-06 -5.3e-06 1.6e-06 ] [ 4.3e-06 -5.1e-06 2.17e-05 ] [ 2.81e-05 2.82e-05 -2.33e-05 ] [ 3.4e-06 -2.4e-05 1.84e-05 ] [ -1.68e-05 -1.43e-05 6.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.233675998016e-14 1.586154854592e-14 -2.8038090864e-14 ] [ -4.96674752448e-15 1.698307218048e-14 -1.233675998016e-14 ] [ -1.329806595264e-14 -8.491536090240001e-15 2.56348259328e-15 ] [ 6.889359469440001e-15 -8.17110076608e-15 3.476723267136e-14 ] [ 4.502116304448e-14 4.518138070656001e-14 -3.733071526464e-14 ] [ 5.44740051072e-15 -3.84522388992e-14 2.948004982272e-14 ] [ -2.691656722944e-14 -2.291112567744e-14 1.105501868352e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.037353 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.889902527771674e-18 } }