{ "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" [ [ 2.719922 0.6324479 2.001085 ] [ 1.570016 2.535953 2.950979 ] [ 1.512501 2.471908 5.050939 ] [ 3.556391 2.380181 1.668166 ] [ 3.168972 1.023761 5.396195 ] [ 4.64835 1.331065 3.67677 ] [ 3.603196 3.529371 4.833641 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.719922e-10 6.324478999999999e-11 2.001085e-10 ] [ 1.570016e-10 2.535953e-10 2.950979e-10 ] [ 1.512501e-10 2.471908e-10 5.050939e-10 ] [ 3.556391e-10 2.380181e-10 1.668166e-10 ] [ 3.168972e-10 1.023761e-10 5.396195e-10 ] [ 4.64835e-10 1.331065e-10 3.67677e-10 ] [ 3.603196e-10 3.529371e-10 4.833641e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.5014173 -5.9710506 2.047966 ] [ 0.5590889 0.3267363 -1.6661963 ] [ -2.1183496 0.322634 2.3904111 ] [ 3.4615091 6.0135783 -1.0217602 ] [ 0.6519846 -0.7040362 0.055064 ] [ -0.6449053 0.744153 -0.8391207 ] [ 0.5920896 -0.7320148 -0.966364 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.007712349943367e-09 -9.566677751751679e-09 3.281203272426444e-09 ] [ 8.957591719087625e-10 5.234892653396142e-10 -2.669540779517254e-09 ] [ -3.393970231763246e-09 5.169166561339559e-10 3.829860810074237e-09 ] [ 5.545948998398369e-09 9.634814638989441e-09 -1.637040317991166e-09 ] [ 1.044594491847836e-09 -1.127990349130151e-09 8.822225417457599e-11 ] [ -1.03325220280276e-09 1.192264548721002e-09 -1.344419578645724e-09 ] [ 9.486321223544062e-10 -1.172817008302183e-09 -1.548285820738776e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.582517064916392 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.33637681063153e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5973657 0.5377721 2.7980436 ] [ 1.7845393 2.9117063 2.885909 ] [ 1.2276182 2.3482892 5.1232664 ] [ 3.6778256 2.460227 1.5171248 ] [ 3.0059428 0.7561496 5.2601819 ] [ 4.9593123 1.662191 3.3732351 ] [ 3.5267441 3.2283516 4.6200141 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5973657e-10 5.377721e-11 2.7980436e-10 ] [ 1.7845393e-10 2.9117063e-10 2.885909e-10 ] [ 1.2276182e-10 2.3482892e-10 5.123266400000001e-10 ] [ 3.6778256e-10 2.460227e-10 1.5171248e-10 ] [ 3.0059428e-10 7.561496e-11 5.2601819e-10 ] [ 4.9593123e-10 1.662191e-10 3.3732351e-10 ] [ 3.5267441e-10 3.2283516e-10 4.6200141e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.4e-05 -2.69e-05 -3.7e-06 ] [ -1.3e-05 8.4e-06 -2.77e-05 ] [ 3.33e-05 5.2e-06 -2.67e-05 ] [ -2.19e-05 2.14e-05 -6.34e-05 ] [ -9.8e-06 -3.23e-05 5.03e-05 ] [ 3.98e-05 1.84e-05 2.53e-05 ] [ 5.6e-06 5.8e-06 4.59e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.447400555599999e-14 -4.309855145459999e-14 -5.9280535458e-15 ] [ -2.082829624199999e-14 1.34582837256e-14 -4.438029276179999e-14 ] [ 5.33524819122e-14 8.331318496799998e-15 -4.277811612779999e-14 ] [ -3.50876682846e-14 3.42865799676e-14 -1.015779985956e-13 ] [ -1.57013310132e-14 -5.17503052782e-14 8.05894846902e-14 ] [ 6.376663003319999e-14 2.94800500656e-14 4.053506884019999e-14 ] [ 8.972189150399999e-15 9.2926244772e-15 7.353990750059999e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.14226006491639 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.906710516396036e-18 } }