{ "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" [ [ 1.2224843 -2.3547482 -1.8427975 ] [ -2.8768866 3.3444696 0.7756463 ] [ -0.443784 -2.0291402 2.2566706 ] [ -0.1665147 -0.2752936 -1.1441022 ] [ 0.0927076 0.3821991 -0.286974 ] [ 1.2029218 -0.4437418 -0.8015468 ] [ 0.9690716 1.3762551 1.0431036 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.958635780891846e-09 -3.772722544993558e-09 -2.952487095693615e-09 ] [ -4.609280489187704e-09 5.358431046243325e-09 1.242722378108554e-09 ] [ -7.110203553430559e-10 -3.251041015550086e-09 3.61558490595476e-09 ] [ -2.667859615575197e-10 -4.410689734097424e-10 -1.833053811747995e-09 ] [ 1.485339505142184e-10 6.123504675558293e-10 -4.59783037365516e-10 ] [ 1.927293200489221e-09 -7.109527434891012e-10 -1.284219554017471e-09 ] [ 1.552623874192994e-09 2.205003763643333e-09 1.671236214761282e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.521895 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.287970065440143e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7053117 0.9639538 2.2830642 ] [ 1.3466427 3.612001 3.1574454 ] [ 2.0675403 1.7652047 4.3680537 ] [ 3.0382791 3.2249023 1.4558396 ] [ 4.1873544 2.7689202 4.6221538 ] [ 4.811487 1.9612088 2.5355273 ] [ 3.4528027 4.6092921 3.4099619 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7053117e-10 9.639538e-11 2.2830642e-10 ] [ 1.3466427e-10 3.612001e-10 3.1574454e-10 ] [ 2.0675403e-10 1.7652047e-10 4.3680537e-10 ] [ 3.0382791e-10 3.2249023e-10 1.4558396e-10 ] [ 4.1873544e-10 2.7689202e-10 4.622153800000001e-10 ] [ 4.811486999999999e-10 1.9612088e-10 2.5355273e-10 ] [ 3.4528027e-10 4.6092921e-10 3.4099619e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.94e-05 -2.45e-05 -3.93e-05 ] [ -3.54e-05 4.93e-05 7.4e-06 ] [ 3.6e-06 -3.72e-05 -2.9e-06 ] [ -6e-06 -2e-05 -1.69e-05 ] [ 3.84e-05 2.39e-05 3.94e-05 ] [ 3.81e-05 -1.7e-05 1.23e-05 ] [ -9.4e-06 2.55e-05 0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.710399303959999e-14 -3.925332753299999e-14 -6.29655417162e-14 ] [ -5.671705284359999e-14 7.89873080562e-14 1.18561070916e-14 ] [ 5.767835882399999e-15 -5.96009707848e-14 -4.6463122386e-15 ] [ -9.613059803999999e-15 -3.204353268e-14 -2.70767851146e-14 ] [ 6.152358274559999e-14 3.82920215526e-14 6.31257593796e-14 ] [ 6.10429297554e-14 -2.723700277799999e-14 1.97067725982e-14 ] [ -1.50604603596e-14 4.0855504167e-14 0.0 ] ] } "relaxed-potential-energy" { "source-value" -22.96247 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.678993289292598e-18 } }