{ "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" [ [ 2.263215 2.218791 2.823685 ] [ 2.787552 3.729015 0.8142493 ] [ 2.212325 4.309555 3.289264 ] [ 3.882235 1.940561 0.9401229 ] [ 4.958804 1.525412 3.341241 ] [ 4.281489 4.073298 2.625609 ] [ 3.697667 3.229021 4.691712 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.263215e-10 2.218791e-10 2.823685e-10 ] [ 2.787552e-10 3.729015e-10 8.142493e-11 ] [ 2.212325e-10 4.309555e-10 3.289264e-10 ] [ 3.882235e-10 1.940561e-10 9.401229e-11 ] [ 4.958804e-10 1.525412e-10 3.341241e-10 ] [ 4.281489e-10 4.073298000000001e-10 2.625609e-10 ] [ 3.697667e-10 3.229021e-10 4.691712e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -12.5618362 -17.6449604 1.3295273 ] [ -4.6973904 7.2740552 -10.3991831 ] [ -10.7784385 11.8352658 5.2094469 ] [ 5.0339135 -9.7746706 -4.7137654 ] [ 2.4424473 -3.3242301 0.6823037 ] [ 17.5371502 13.2568577 -2.4513474 ] [ 3.024154 -1.6223177 10.3430178 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.012628027395911e-08 -2.827034302782181e-08 2.130137556775348e-09 ] [ -7.52604907765036e-09 1.165432117984867e-08 -1.666132803823847e-08 ] [ -1.726896217343062e-08 1.896218616571381e-08 8.346454030479035e-09 ] [ 8.0652185208295e-09 -1.566074871134111e-08 -7.55228471981596e-09 ] [ 3.913231961596084e-09 -5.326003748379646e-09 1.093171036425337e-09 ] [ 2.809761204589804e-08 2.123982747221246e-08 -3.927491493738866e-09 ] [ 4.845228836498803e-09 -2.599239490450028e-09 1.657134130767825e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 7.505573 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.202525358630772e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.3310464 2.3146095 3.1957447 ] [ 2.9649377 3.4895663 0.1958559 ] [ 1.6246069 4.2029456 3.314217 ] [ 3.8715458 1.9520704 0.2834605 ] [ 5.0053356 1.3900125 3.9113917 ] [ 4.934984 4.9521559 2.5679872 ] [ 4.3508306 2.7242927 5.0572262 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3310464e-10 2.3146095e-10 3.1957447e-10 ] [ 2.9649377e-10 3.4895663e-10 1.958559e-11 ] [ 1.6246069e-10 4.2029456e-10 3.314217000000001e-10 ] [ 3.8715458e-10 1.9520704e-10 2.834605e-11 ] [ 5.005335600000001e-10 1.3900125e-10 3.9113917e-10 ] [ 4.934984e-10 4.952155900000001e-10 2.5679872e-10 ] [ 4.3508306e-10 2.7242927e-10 5.0572262e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.3020915 1.9432112 0.1219151 ] [ -1.2011179 4.0559343 0.8009583 ] [ -0.3020915 -1.9432112 -0.1219151 ] [ 1.5917736 -4.6750842 -0.7435196 ] [ -0.1434371 -1.2234907 0.9014076 ] [ -0.6750968 1.2328093 0.4260292 ] [ 0.4278783 0.6098313 -1.3848754 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.840039386424032e-10 3.113367553916713e-09 1.953295229424941e-10 ] [ -1.924403018204392e-09 6.498323110960813e-09 1.283276662495713e-09 ] [ -4.840039386424032e-10 -3.113367553916713e-09 -1.953295229424941e-10 ] [ 2.550302447526651e-09 -7.49031060551147e-09 -1.191249720226568e-09 ] [ -2.298115681753517e-10 -1.960248195306226e-09 1.444214182531438e-09 ] [ -1.081624309736893e-09 1.975178238364813e-09 6.825740240181273e-10 ] [ 6.855366088076486e-10 9.77057451492071e-10 -2.218814988601049e-09 ] ] } "relaxed-potential-energy" { "source-value" -31.222172 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.002343402899638e-18 } }