{ "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" [ [ -2.7339849 0.3589379 1.2021333 ] [ -3.9102527 0.919242 -6.8556477 ] [ -3.1866287 -1.79764 3.112999 ] [ 3.5863146 2.1044003 0.9330095 ] [ 1.0230974 0.1926521 -2.3645526 ] [ -0.9900913 -1.8474648 1.9433418 ] [ 6.2115456 0.0698724 2.0287167 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.380326688400226e-09 5.750819116990483e-10 1.926029868345153e-09 ] [ -6.264915457360077e-09 1.472788041257434e-09 -1.098395846538129e-08 ] [ -5.105542002310297e-09 -2.880136780614912e-09 4.987574218373779e-09 ] [ 5.745909406953704e-09 3.371620961464506e-09 1.494846007884298e-09 ] [ 1.639182735081266e-09 3.086626905680237e-10 -3.788430894371855e-09 ] [ -1.586301133317479e-09 -2.959964910310948e-09 3.113576798183389e-09 ] [ 9.95199313935311e-09 1.119479257191859e-10 3.250362466966527e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -25.01471 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.007798353809197e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4971492 2.077846 2.8768501 ] [ 1.6510481 4.3398065 2.5467779 ] [ 1.5153532 3.2963543 4.7457061 ] [ 4.9224048 2.2031941 3.0859947 ] [ 3.5371647 1.97586 5.0789624 ] [ 3.7567246 3.6642034 1.5210232 ] [ 3.6559284 4.1139218 3.9145356 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4971492e-10 2.077846e-10 2.8768501e-10 ] [ 1.6510481e-10 4.3398065e-10 2.5467779e-10 ] [ 1.5153532e-10 3.2963543e-10 4.7457061e-10 ] [ 4.9224048e-10 2.2031941e-10 3.0859947e-10 ] [ 3.5371647e-10 1.97586e-10 5.0789624e-10 ] [ 3.7567246e-10 3.6642034e-10 1.5210232e-10 ] [ 3.6559284e-10 4.1139218e-10 3.9145356e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.58e-05 -3.73e-05 3.6e-06 ] [ -1.2e-06 3.33e-05 1.21e-05 ] [ -4.3e-06 1.64e-05 9.6e-06 ] [ -8e-06 1.28e-05 6e-07 ] [ -6.9e-06 -2.93e-05 -1.08e-05 ] [ 3.1e-06 -2.19e-05 -1.08e-05 ] [ -1.85e-05 2.6e-05 -4.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.735792302464001e-14 -5.976118795584e-14 5.76783583488e-15 ] [ -1.92261194496e-15 5.335248147264001e-14 1.938633711168e-14 ] [ -6.889359469440001e-15 2.627569658112e-14 1.538089555968e-14 ] [ -1.28174129664e-14 2.050786074624e-14 9.6130597248e-16 ] [ -1.105501868352e-14 -4.694377498944e-14 -1.730350750464e-14 ] [ 4.96674752448e-15 -3.508766799552e-14 -1.730350750464e-14 ] [ -2.96402674848e-14 4.16565921408e-14 -6.72914180736e-15 ] ] } "relaxed-potential-energy" { "source-value" -31.275942 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.010958306589679e-18 } }