{ "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" [ [ -2.9762274 -3.1479219 0.006931 ] [ -4.7941869 3.2848462 -6.2847044 ] [ -1.8578377 -1.1225308 2.1402159 ] [ 3.9423406 -0.4813083 0.1330305 ] [ 1.8545655 -0.8403606 -0.4019807 ] [ -0.3630826 -1.2142041 1.4936438 ] [ 4.1944286 3.5214796 2.912864 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.76844195846437e-09 -5.043526872284316e-09 1.11046861587648e-11 ] [ -7.681134166925627e-09 5.262903784563721e-09 -1.006920645831889e-08 ] [ -2.976584128180844e-09 -1.798492603887921e-09 3.429003878444431e-09 ] [ 6.316325940550645e-09 -7.711409056569926e-10 2.131383569533344e-10 ] [ 2.971341485842263e-09 -1.346406106361461e-09 -6.440440795528187e-10 ] [ -5.81722453139278e-10 -1.945369421899505e-09 2.393081176162871e-09 ] [ 6.720215440534875e-09 5.642032285744136e-09 4.666922600369971e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -28.99066 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.644815767356173e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3130891 1.77236 2.7335498 ] [ 1.757289 4.1709569 2.5372888 ] [ 1.6402174 3.1837159 4.6456185 ] [ 4.6383411 1.6988469 2.8282489 ] [ 3.7624381 2.3260468 4.9572269 ] [ 3.9336037 3.769433 1.8747521 ] [ 3.4907945 4.7498264 4.193165 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3130891e-10 1.77236e-10 2.7335498e-10 ] [ 1.757289e-10 4.1709569e-10 2.5372888e-10 ] [ 1.6402174e-10 3.1837159e-10 4.645618500000001e-10 ] [ 4.6383411e-10 1.6988469e-10 2.8282489e-10 ] [ 3.7624381e-10 2.3260468e-10 4.9572269e-10 ] [ 3.9336037e-10 3.769433e-10 1.8747521e-10 ] [ 3.4907945e-10 4.7498264e-10 4.193165e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.37e-05 -7.2e-06 -6.2e-06 ] [ 1.85e-05 -7.2e-06 9e-07 ] [ -1.26e-05 -3.2e-06 1.79e-05 ] [ -6.7e-06 -5.1e-06 -5.7e-06 ] [ 1.05e-05 2.1e-05 -1.03e-05 ] [ 1.4e-05 1.01e-05 1.21e-05 ] [ -9.9e-06 -8.4e-06 -8.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.194981970496e-14 -1.153567166976e-14 -9.93349504896e-15 ] [ 2.96402674848e-14 -1.153567166976e-14 1.44195895872e-15 ] [ -2.018742542208e-14 -5.126965186560001e-15 2.867896151232001e-14 ] [ -1.073458335936e-14 -8.17110076608e-15 -9.13240673856e-15 ] [ 1.68228545184e-14 3.36457090368e-14 -1.650241919424e-14 ] [ 2.24304726912e-14 1.618198387008e-14 1.938633711168e-14 ] [ -1.586154854592e-14 -1.345828361472e-14 -1.393893660096e-14 ] ] } "relaxed-potential-energy" { "source-value" -32.196266 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.158410466225794e-18 } }