{ "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" [ [ 2.690681 1.842727 3.696963 ] [ 2.658202 3.646198 2.018485 ] [ 5.329976 0.2810446 1.792372 ] [ 5.111587 2.700534 2.069297 ] [ 3.393505 1.493232 0.8693091 ] [ 5.014849 1.504764 3.993476 ] [ 3.843884 3.656776 4.040771 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.690681e-10 1.842727e-10 3.696963e-10 ] [ 2.658202e-10 3.646198e-10 2.018485e-10 ] [ 5.329976000000001e-10 2.810446e-11 1.792372e-10 ] [ 5.111587e-10 2.700534e-10 2.069297e-10 ] [ 3.393505e-10 1.493232e-10 8.693091e-11 ] [ 5.014849e-10 1.504764e-10 3.993476e-10 ] [ 3.843884e-10 3.656776e-10 4.040771000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.3153575 -3.4123063 0.3203009 ] [ -1.2050074 0.4718975 -2.1095822 ] [ -0.0894168 -0.8480924 -0.0059013 ] [ 2.8299628 2.1560794 -2.5935624 ] [ -0.7743166 0.0511453 0.3023916 ] [ 1.7017797 -2.7240342 1.6009859 ] [ 0.8523558 4.3053106 2.4853676 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.311788276093936e-09 -5.467117376868551e-09 5.131786136011987e-10 ] [ -1.930634684170994e-09 7.56063141913968e-10 -3.37992328049583e-09 ] [ -1.432615064667495e-10 -1.358793815558162e-09 -9.454924892327039e-12 ] [ 4.534100235893707e-09 3.454420007268491e-09 -4.155345041865938e-09 ] [ -1.240591953617345e-09 8.194380392380224e-11 4.844847518463053e-10 ] [ 2.726551649092038e-09 -4.364383909499632e-09 2.565062179210447e-09 ] [ 1.365624535363281e-09 6.897867988602422e-09 3.981997862813807e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.782633 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.887785912406657e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5193628 1.4081951 3.7171344 ] [ 3.1365857 3.562168 1.5370207 ] [ 5.1738394 1.0211302 1.8447959 ] [ 5.4774651 3.2824153 1.9233522 ] [ 2.9220202 1.2902381 1.4730922 ] [ 4.8602316 1.1284681 4.1035333 ] [ 3.9531792 3.4326608 3.8817443 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5193628e-10 1.4081951e-10 3.7171344e-10 ] [ 3.1365857e-10 3.562168e-10 1.5370207e-10 ] [ 5.1738394e-10 1.0211302e-10 1.8447959e-10 ] [ 5.4774651e-10 3.2824153e-10 1.9233522e-10 ] [ 2.9220202e-10 1.2902381e-10 1.4730922e-10 ] [ 4.8602316e-10 1.1284681e-10 4.1035333e-10 ] [ 3.9531792e-10 3.4326608e-10 3.8817443e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.8e-05 -2.53e-05 3.06e-05 ] [ 1.6e-06 -3.7e-06 -4.28e-05 ] [ -1.34e-05 1.76e-05 -2.23e-05 ] [ 1.64e-05 1.47e-05 -8.6e-06 ] [ 2.45e-05 1.99e-05 2.33e-05 ] [ 2.52e-05 -5.08e-05 2.11e-05 ] [ -6.4e-06 2.76e-05 -1.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.69044777984e-14 -4.053506850624e-14 4.902660459647999e-14 ] [ 2.56348259328e-15 -5.928053496960001e-15 -6.857315937023999e-14 ] [ -2.146916671872e-14 2.819830852608e-14 -3.572853864384e-14 ] [ 2.627569658112e-14 2.355199632576e-14 -1.377871893888e-14 ] [ 3.92533272096e-14 3.188331475392e-14 3.733071526464e-14 ] [ 4.037485084416e-14 -8.139057233664001e-14 3.380592669888e-14 ] [ -1.025393037312e-14 4.422007473408001e-14 -2.08282960704e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.445632 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.314445386308035e-18 } }