{ "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" [ [ 2.5577237 -5.2377976 -3.5882064 ] [ -3.5121166 6.1153228 2.7570251 ] [ -0.2546735 -1.8275592 1.5563452 ] [ -0.2161128 -0.3835279 -0.7851495 ] [ 0.1006358 0.4355948 -0.4764494 ] [ 0.3679356 0.0815115 -0.8693831 ] [ 0.9566077 0.8164556 1.4058182 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.097925114606073e-09 -8.39187685920235e-09 -5.748940404684933e-09 ] [ -5.627031106043586e-09 9.797827218805194e-09 4.417241158178782e-09 ] [ -4.080319276373088e-10 -2.928072623367952e-09 2.4935398933343e-09 ] [ -3.462508756156262e-10 -6.144794348045204e-10 -1.257948172732809e-09 ] [ 1.612363259755046e-10 6.978998047020518e-10 -7.633560896741875e-10 ] [ 5.894978162800204e-10 1.305958196263392e-10 -1.392905277338628e-09 ] [ 1.53265449221726e-09 1.308106074241236e-09 2.252369053135138e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.077352 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.056528736117213e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5483025 1.2309721 2.2889631 ] [ 1.4364946 3.3367605 3.0164031 ] [ 2.0849778 1.66463 4.5867396 ] [ 3.0241056 3.3166338 1.2398819 ] [ 4.1963899 2.6879914 4.8513942 ] [ 4.7154834 2.2813451 2.5606124 ] [ 3.6036643 4.3871502 3.2880518 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5483025e-10 1.2309721e-10 2.2889631e-10 ] [ 1.4364946e-10 3.3367605e-10 3.0164031e-10 ] [ 2.0849778e-10 1.66463e-10 4.5867396e-10 ] [ 3.0241056e-10 3.3166338e-10 1.2398819e-10 ] [ 4.1963899e-10 2.6879914e-10 4.851394199999999e-10 ] [ 4.7154834e-10 2.2813451e-10 2.5606124e-10 ] [ 3.6036643e-10 4.3871502e-10 3.2880518e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.85e-05 2e-06 -8.3e-06 ] [ -2.43e-05 1.66e-05 -6e-06 ] [ -1.43e-05 -7.3e-06 1.68e-05 ] [ -1.92e-05 -1.65e-05 -1.54e-05 ] [ 3.5e-06 -4.5e-06 3.7e-06 ] [ 1.87e-05 1.2e-06 -6.1e-06 ] [ 1.71e-05 8.4e-06 1.53e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.96402674848e-14 3.2043532416e-15 -1.329806595264e-14 ] [ -3.893289188544e-14 2.659613190528e-14 -9.6130597248e-15 ] [ -2.291112567744e-14 -1.169588933184e-14 2.691656722944e-14 ] [ -3.076179111936e-14 -2.64359142432e-14 -2.467351996032e-14 ] [ 5.6076181728e-15 -7.2097947936e-15 5.928053496960001e-15 ] [ 2.996070280896e-14 1.92261194496e-15 -9.77327738688e-15 ] [ 2.739722021568e-14 1.345828361472e-14 2.451330229824e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.43874 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.434864800740979e-18 } }