{ "relaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.423958e-10 1.2274364e-10 1.297699e-10 ] [ 1.2808785e-10 3.0561009e-10 3.1546626e-10 ] [ 2.3895829e-10 1.4368065e-10 5.092427e-10 ] [ 2.7246501e-10 3.9537464e-10 4.657671e-11 ] [ 4.5169358e-10 3.3014084e-10 5.6134781e-10 ] [ 4.5230536e-10 1.3979987e-10 3.0863802e-10 ] [ 3.750359e-10 4.5319857e-10 3.121632e-10 ] ] "source-value" [ [ 2.423958 1.2274364 1.297699 ] [ 1.2808785 3.0561009 3.1546626 ] [ 2.3895829 1.4368065 5.092427 ] [ 2.7246501 3.9537464 0.4657671 ] [ 4.5169358 3.3014084 5.6134781 ] [ 4.5230536 1.3979987 3.0863802 ] [ 3.750359 4.5319857 3.121632 ] ] } "relaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -9.1980959800128e-13 2.130894905664e-14 2.53512406709184e-12 ] [ 2.7701633773632e-12 -8.608494983558399e-13 4.94367618114048e-12 ] [ -5.7149640063936e-13 4.6358980522848e-12 -6.65848581838272e-12 ] [ 2.0235490720704e-13 3.380592669888001e-13 -5.499471250895999e-12 ] [ 2.1693471445632e-13 -1.92261194496e-12 5.976118795584e-13 ] [ 2.38211619980544e-12 -1.42097044498752e-12 1.2601119122592e-12 ] [ -4.08010298252928e-12 -7.9083438002688e-13 2.82127281156672e-12 ] ] "source-value" [ [ -0.0005741 1.33e-05 0.0015823 ] [ 0.001729 -0.0005373 0.0030856 ] [ -0.0003567 0.0028935 -0.0041559 ] [ 0.0001263 0.000211 -0.0034325 ] [ 0.0001354 -0.0012 0.000373 ] [ 0.0014868 -0.0008869 0.0007865 ] [ -0.0025466 -0.0004936 0.0017609 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "relaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -2.959350155141547e-18 "source-value" -18.470811 } "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 7.948582033512505e-08 -2.8742408507592e-08 -8.229801072786377e-08 ] [ -1.059543454414825e-07 6.561941186652374e-08 1.308669204075562e-07 ] [ -5.297851983084401e-08 -3.895670615807859e-08 4.54441634674148e-08 ] [ 1.921595107545843e-08 -3.306385953105469e-08 -9.36254374085057e-08 ] [ 1.830457565562437e-08 3.986466846105736e-08 3.704987276891555e-08 ] [ 2.377395081978695e-08 -4.074960107728876e-08 -7.206019312458383e-08 ] [ 1.815256754654935e-08 3.602849494643293e-08 3.462268477728441e-08 ] ] "source-value" [ [ 49.6111473 -17.9396005 -51.3663785 ] [ -66.1315014 40.9564158 81.6807078 ] [ -33.0665915 -24.3148637 28.3640161 ] [ 11.9936534 -20.6368381 -58.4364022 ] [ 11.4248176 24.8815692 23.1247119 ] [ 14.8385331 -25.4339007 -44.9764353 ] [ 11.3299416 22.487218 21.6097803 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 5.479007610224494e-18 "source-value" 34.197276 } "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.221555e-10 1.50122e-10 1.826509e-10 ] [ 1.576881e-10 2.934657e-10 3.026633e-10 ] [ 2.584327e-10 1.716088e-10 4.47164e-10 ] [ 2.903501e-10 3.607036e-10 1.073051e-10 ] [ 4.2877e-10 3.061946e-10 5.191695e-10 ] [ 4.423391e-10 1.863673e-10 3.155042e-10 ] [ 3.612063e-10 4.220863e-10 3.087476e-10 ] ] "source-value" [ [ 2.221555 1.50122 1.826509 ] [ 1.576881 2.934657 3.026633 ] [ 2.584327 1.716088 4.47164 ] [ 2.903501 3.607036 1.073051 ] [ 4.2877 3.061946 5.191695 ] [ 4.423391 1.863673 3.155042 ] [ 3.612063 4.220863 3.087476 ] ] } "instance-id" 1 }