{ "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" [ [ 2.221555 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 ] ] "source-unit" "angstrom" "si-unit" "m" "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 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.1274237 -6.1584385 -1.5471799 ] [ -6.9300271 2.5565318 4.4934196 ] [ -3.3270507 -3.2822228 2.4186363 ] [ 2.3245234 2.8244151 -7.1180431 ] [ 2.4130004 2.6479003 5.2800819 ] [ 2.4200561 -2.7959639 -5.1501743 ] [ 1.9720742 4.207778 1.6232595 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.806331893875833e-09 -9.86690618533462e-09 -2.478855463951682e-09 ] [ -1.110312740113042e-08 4.096015480291742e-09 7.199251830564488e-09 ] [ -5.330522847756275e-09 -5.258700634416714e-09 3.875082534078216e-09 ] [ 3.724297045982527e-09 4.525211840654494e-09 -1.140436224066676e-08 ] [ 3.866052826861048e-09 4.242403954869306e-09 8.459623776089243e-09 ] [ 3.877357304444427e-09 -4.479627993180789e-09 -8.251488856505005e-09 ] [ 3.159611177722863e-09 6.741603537116583e-09 2.600748420391498e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.797178 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.17185757494161e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1431543 1.2439538 1.9894398 ] [ 1.750476 3.3462599 3.4033007 ] [ 2.5973729 1.1316715 4.3786259 ] [ 2.9933897 3.3695246 1.1610778 ] [ 3.7283255 3.1878464 5.0268616 ] [ 4.4236399 2.0553032 2.8344263 ] [ 3.9730597 4.5709236 3.0383139 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1431543e-10 1.2439538e-10 1.9894398e-10 ] [ 1.750476e-10 3.3462599e-10 3.4033007e-10 ] [ 2.5973729e-10 1.1316715e-10 4.3786259e-10 ] [ 2.9933897e-10 3.3695246e-10 1.1610778e-10 ] [ 3.7283255e-10 3.187846400000001e-10 5.0268616e-10 ] [ 4.423639900000001e-10 2.0553032e-10 2.8344263e-10 ] [ 3.9730597e-10 4.5709236e-10 3.0383139e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.38e-05 -3.1e-05 -3.84e-05 ] [ 6.74e-05 2.92e-05 -2.41e-05 ] [ -2.67e-05 -6.7e-05 3.55e-05 ] [ -4.57e-05 1.16e-05 2.91e-05 ] [ -2.71e-05 3.5e-05 3.66e-05 ] [ 2.42e-05 4.96e-05 -1.64e-05 ] [ 2.16e-05 -2.74e-05 -2.22e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.211003736704e-14 -4.96674752448e-14 -6.152358223872e-14 ] [ 1.0798670424192e-13 4.678355732736e-14 -3.861245656128e-14 ] [ -4.277811577536e-14 -1.073458335936e-13 5.68772700384e-14 ] [ -7.321947157056e-14 1.858524880128e-14 4.662333966527999e-14 ] [ -4.341898642368e-14 5.6076181728e-14 5.863966432128e-14 ] [ 3.877267422336e-14 7.946796039168e-14 -2.627569658112e-14 ] [ 3.460701500928e-14 -4.389963940992e-14 -3.556832098176e-14 ] ] } "relaxed-potential-energy" { "source-value" -26.557231 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.254937462138501e-18 } }