{ "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" [ [ 2.819728 1.352428 1.364201 ] [ 2.130711 2.142985 3.535598 ] [ 2.900765 3.536828 2.247591 ] [ 4.867849 2.542824 1.805581 ] [ 4.180951 2.552465 4.619841 ] [ 3.604443 0.2919785 5.062878 ] [ 4.799237 0.5958561 3.34882 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.819728e-10 1.352428e-10 1.364201e-10 ] [ 2.130711e-10 2.142985e-10 3.535598e-10 ] [ 2.900765e-10 3.536828e-10 2.247591e-10 ] [ 4.867849e-10 2.542824e-10 1.805581e-10 ] [ 4.180951e-10 2.552465e-10 4.619841e-10 ] [ 3.604443e-10 2.919785e-11 5.062878e-10 ] [ 4.799237e-10 5.958561e-11 3.34882e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.5025638 -1.3622687 1.2850479 ] [ 0.4319227 -6.290129 3.7492013 ] [ 1.8351052 4.6224048 -1.2202913 ] [ -0.1788839 -0.9814609 3.0169498 ] [ 0.3207393 1.4273114 -3.5471005 ] [ -3.7320476 0.9551998 2.3465453 ] [ -0.1793995 1.6289426 -5.6303526 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.407372591620407e-09 -2.182595062387609e-09 2.058873701988136e-09 ] [ 6.920164519328121e-10 -1.007789762561608e-08 6.006882669532967e-09 ] [ 2.940162648148508e-09 7.4059089024337e-09 -1.955122191425639e-09 ] [ -2.866036024175252e-10 -1.572473708209327e-09 4.833686435687236e-09 ] [ 5.138810078317575e-10 2.286804955681317e-09 -5.68308149272799e-09 ] [ -5.97939941243275e-09 1.530398787752836e-09 3.759580019308122e-09 ] [ -2.874296846832096e-10 2.609853750345166e-09 -9.020819302580495e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -24.523913 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.92916400591332e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.009437 1.4646481 1.3077975 ] [ 2.1594949 1.548317 3.5650262 ] [ 2.901575 3.5745572 2.4842264 ] [ 5.046811 2.5734088 1.9912531 ] [ 4.2638642 2.6935338 4.270958 ] [ 3.5472305 0.6466501 5.3093977 ] [ 4.3752714 0.5142495 3.0558511 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.009437e-10 1.4646481e-10 1.3077975e-10 ] [ 2.1594949e-10 1.548317e-10 3.5650262e-10 ] [ 2.901575e-10 3.5745572e-10 2.4842264e-10 ] [ 5.046811e-10 2.5734088e-10 1.9912531e-10 ] [ 4.2638642e-10 2.6935338e-10 4.270958000000001e-10 ] [ 3.5472305e-10 6.466501e-11 5.3093977e-10 ] [ 4.3752714e-10 5.142495e-11 3.0558511e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.1e-05 -2.6e-06 7e-07 ] [ -1.7e-06 -1.73e-05 5e-07 ] [ 5.8e-06 1.31e-05 -2.52e-05 ] [ 1.17e-05 2.15e-05 1.67e-05 ] [ 7.2e-06 1.02e-05 8e-06 ] [ 3.2e-06 -2e-07 1.14e-05 ] [ -5.1e-06 -2.47e-05 -1.21e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.36457090368e-14 -4.16565921408e-15 1.12152363456e-15 ] [ -2.72370025536e-15 -2.771765553984e-14 8.010883104e-16 ] [ 9.292624400640001e-15 2.098851373248e-14 -4.037485084416e-14 ] [ 1.874546646336e-14 3.44467973472e-14 2.675634956736e-14 ] [ 1.153567166976e-14 1.634220153216e-14 1.28174129664e-14 ] [ 5.126965186560001e-15 -3.2043532416e-16 1.826481347712e-14 ] [ -8.17110076608e-15 -3.957376253376001e-14 -1.938633711168e-14 ] ] } "relaxed-potential-energy" { "source-value" -29.696935 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.757973496641725e-18 } }