{ "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" [ [ 2.176849 1.681974 3.211274 ] [ 2.864727 5.809081 2.248654 ] [ 2.905691 3.612446 1.71083 ] [ 4.50356 2.090932 1.710731 ] [ 5.648677 2.904188 3.876429 ] [ 4.83518 4.522991 2.188517 ] [ 3.438619 4.083879 4.381538 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.176849e-10 1.681974e-10 3.211274e-10 ] [ 2.864727e-10 5.809081e-10 2.248654e-10 ] [ 2.905691e-10 3.612446e-10 1.71083e-10 ] [ 4.503560000000001e-10 2.090932e-10 1.710731e-10 ] [ 5.648677e-10 2.904188e-10 3.876429e-10 ] [ 4.835180000000001e-10 4.522991000000001e-10 2.188517e-10 ] [ 3.438619e-10 4.083879e-10 4.381538e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.3071313 3.3160283 -0.4888094 ] [ 0.189871 -0.1642979 2.0911951 ] [ -4.3724557 -1.5004123 -0.5410027 ] [ 0.6225692 -1.2647845 1.5211574 ] [ -1.8306604 0.4592506 -0.8164293 ] [ 2.539342 0.0726834 1.1277032 ] [ -0.4557973 -0.9184676 -2.8938143 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.298608450775911e-09 5.312863016171169e-09 -7.831589927072756e-10 ] [ 3.042068771679168e-10 -2.632342542265364e-10 3.350463898751518e-09 ] [ -7.005446298023699e-09 -2.403925508620756e-09 -8.66781877729676e-10 ] [ 9.974658170701594e-10 -2.026408156250218e-09 2.437162822836914e-09 ] [ -2.933041293504376e-09 7.358005744083725e-10 -1.30806393699611e-09 ] [ 4.068474384615514e-09 1.164516442002547e-10 1.806779702241347e-09 ] [ -7.302677778837639e-10 -1.471547315682286e-09 -4.636401616396717e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -28.036303 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.491910920026491e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8907525 1.9150798 3.4011408 ] [ 3.0473229 5.6667709 2.4120862 ] [ 2.5148718 3.532345 1.6236447 ] [ 4.5317625 2.1730731 1.5945406 ] [ 5.1422794 2.7551663 3.8992572 ] [ 5.0452981 4.4765015 2.1834705 ] [ 3.2010159 4.1865545 4.2138331 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8907525e-10 1.9150798e-10 3.4011408e-10 ] [ 3.0473229e-10 5.6667709e-10 2.4120862e-10 ] [ 2.5148718e-10 3.532345e-10 1.6236447e-10 ] [ 4.5317625e-10 2.1730731e-10 1.5945406e-10 ] [ 5.1422794e-10 2.7551663e-10 3.8992572e-10 ] [ 5.0452981e-10 4.4765015e-10 2.1834705e-10 ] [ 3.2010159e-10 4.1865545e-10 4.213833100000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.15e-05 4.01e-05 -2.75e-05 ] [ -2.51e-05 2.36e-05 3.29e-05 ] [ 5.5e-05 -5.65e-05 4.87e-05 ] [ -2.58e-05 8e-05 7.14e-05 ] [ -4.76e-05 5.27e-05 -5.48e-05 ] [ 1.61e-05 -8.33e-05 1.7e-06 ] [ 3.89e-05 -5.65e-05 -7.24e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.84250311392e-14 6.424728249408e-14 -4.4059857072e-14 ] [ -4.021463318208e-14 3.781136825088e-14 5.271161082432e-14 ] [ 8.8119714144e-14 -9.052297907519999e-14 7.802600143296e-14 ] [ -4.133615681664e-14 1.28174129664e-13 1.1439541072512e-13 ] [ -7.626360715008e-14 8.443470791616e-14 -8.779927881984e-14 ] [ 2.579504359488e-14 -1.3346131251264e-13 2.72370025536e-15 ] [ 6.232467054911999e-14 -9.052297907519999e-14 -1.1599758734592e-13 ] ] } "relaxed-potential-energy" { "source-value" -32.25324 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.16753870730514e-18 } }