{ "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" [ [ -4.1245484 -10.0418781 0.5215421 ] [ -3.3653589 6.0489317 -3.5064066 ] [ -7.1668983 8.0672649 1.746821 ] [ 6.2036168 -8.116963 6.1470613 ] [ -3.7067614 2.330402 -6.1347484 ] [ 9.9850006 5.3686339 -2.2932254 ] [ 2.1749497 -3.6563913 3.5189559 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.608255072282085e-09 -1.608886245329631e-08 8.356025662672913e-10 ] [ -5.391899394603942e-09 9.691457030401897e-09 -5.617882723823384e-09 ] [ -1.148263699451432e-08 1.292518332306834e-08 2.798715789980514e-09 ] [ 9.93928988324985e-09 -1.300480845764254e-08 9.848677982625664e-09 ] [ -5.938886502893128e-09 3.733715632226867e-09 -9.828950541948885e-09 ] [ 1.599773465179598e-08 8.60149979108029e-09 -3.674152152375303e-09 ] [ 3.484653589465309e-09 -5.858184705620884e-09 5.637988919056439e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.69303 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.713212281266102e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9594696 1.7007285 3.2184751 ] [ 3.2797673 4.0596187 1.040812 ] [ 1.775215 4.158174 2.9814386 ] [ 3.4604064 1.649806 1.273221 ] [ 5.0576025 1.4699939 3.0619618 ] [ 4.8072271 4.810114 2.7398023 ] [ 3.7435991 3.177218 4.2101724 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9594696e-10 1.7007285e-10 3.2184751e-10 ] [ 3.2797673e-10 4.0596187e-10 1.040812e-10 ] [ 1.775215e-10 4.158174e-10 2.9814386e-10 ] [ 3.4604064e-10 1.649806e-10 1.273221e-10 ] [ 5.0576025e-10 1.4699939e-10 3.0619618e-10 ] [ 4.8072271e-10 4.810114e-10 2.7398023e-10 ] [ 3.7435991e-10 3.177218e-10 4.2101724e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.49e-05 1.31e-05 -4.3e-06 ] [ -4.62e-05 -9.4e-06 -1.47e-05 ] [ 2.66e-05 2.05e-05 -1.23e-05 ] [ 2.33e-05 1.41e-05 1.79e-05 ] [ 1.48e-05 -4.94e-05 -1.13e-05 ] [ -1.79e-05 1.2e-06 1.95e-05 ] [ -1.57e-05 9.8e-06 5.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.38724318466e-14 2.09885139054e-14 -6.8893595262e-15 ] [ -7.40205604908e-14 -1.50604603596e-14 -2.35519965198e-14 ] [ 4.26178984644e-14 3.2844620997e-14 -1.97067725982e-14 ] [ 3.733071557219999e-14 2.25906905394e-14 2.86789617486e-14 ] [ 2.37122141832e-14 -7.91475257196e-14 -1.81045959642e-14 ] [ -2.86789617486e-14 1.9226119608e-15 3.1242444363e-14 ] [ -2.515417315379999e-14 1.57013310132e-14 8.4915361602e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.32282 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.775421743898788e-18 } }