{ "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" [ [ 2.026325 2.332401 2.957561 ] [ 3.78119 1.739305 1.09586 ] [ 4.095572 1.356929 3.585425 ] [ 3.432411 4.018052 0.5968462 ] [ 4.864307 3.437474 2.341714 ] [ 3.124173 4.42761 2.898506 ] [ 3.279186 3.336979 4.610213 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.026325e-10 2.332401e-10 2.957561e-10 ] [ 3.78119e-10 1.739305e-10 1.09586e-10 ] [ 4.095572e-10 1.356929e-10 3.585425e-10 ] [ 3.432411e-10 4.018052e-10 5.968462e-11 ] [ 4.864307000000001e-10 3.437474e-10 2.341714e-10 ] [ 3.124173e-10 4.42761e-10 2.898506e-10 ] [ 3.279186e-10 3.336979e-10 4.610213e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.1533352 -0.9107039 -0.5065598 ] [ -0.3502855 -0.4389706 0.0887918 ] [ 0.3251278 -0.2697326 -0.3137215 ] [ -0.0858239 -0.1916714 -0.4173716 ] [ 3.5263371 -1.0683143 -0.3930939 ] [ -2.8095586 4.3313459 -1.4317608 ] [ 0.5475384 -1.4519531 2.9737157 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.847846708609717e-09 -1.459108509072673e-09 -8.115982752837132e-10 ] [ -5.612192433290071e-10 -7.033084383329604e-10 1.422601472508012e-10 ] [ 5.209121642238252e-10 -4.321592691480684e-10 -5.026372568834309e-10 ] [ -1.375050472187526e-10 -3.070914384860676e-10 -6.687030252151944e-10 ] [ 5.649814905227321e-09 -1.711628209228066e-09 -6.298058615479325e-10 ] [ -4.501409140773752e-09 6.9395811947517e-09 -2.293933699237147e-09 ] [ 8.772532306977455e-10 -2.326285330483865e-09 4.764417810698954e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.733649 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.321896796535746e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.6604924 2.4221434 2.9635218 ] [ 3.1153001 1.6198817 1.3399879 ] [ 4.5819821 1.3919529 3.1268383 ] [ 3.9085256 3.8120958 0.9785517 ] [ 5.3700807 3.5700713 2.7677489 ] [ 2.4486427 4.6002455 2.6044392 ] [ 3.5181404 3.2323594 4.3050374 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6604924e-10 2.4221434e-10 2.9635218e-10 ] [ 3.1153001e-10 1.6198817e-10 1.3399879e-10 ] [ 4.581982100000001e-10 1.3919529e-10 3.126838300000001e-10 ] [ 3.9085256e-10 3.8120958e-10 9.785517e-11 ] [ 5.3700807e-10 3.5700713e-10 2.7677489e-10 ] [ 2.4486427e-10 4.6002455e-10 2.6044392e-10 ] [ 3.5181404e-10 3.2323594e-10 4.3050374e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1e-07 -5e-06 -5.4e-06 ] [ -1.29e-05 1.94e-05 1.61e-05 ] [ -6.6e-06 2.01e-05 4.9e-06 ] [ -2e-07 -7.3e-06 2.79e-05 ] [ 7.1e-06 2.2e-06 -3e-07 ] [ -1.1e-06 -9e-06 -1.73e-05 ] [ 1.36e-05 -2.04e-05 -2.6e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.602176634e-16 -8.010883169999999e-15 -8.6517538236e-15 ] [ -2.06680785786e-14 3.10822266996e-14 2.579504380739999e-14 ] [ -1.05743657844e-14 3.22037503434e-14 7.850665506599998e-15 ] [ -3.204353268e-16 -1.16958894282e-14 4.470072808859999e-14 ] [ 1.13754541014e-14 3.5247885948e-15 -4.806529901999999e-16 ] [ -1.7623942974e-15 -1.4419589706e-14 -2.77176557682e-14 ] [ 2.17896022224e-14 -3.26844033336e-14 -4.165659248399999e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.96247 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.678993289292598e-18 } }