{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.360944 2.643853 2.165766 ] [ 2.694587 4.80447 3.102481 ] [ 4.665525 1.923814 2.374826 ] [ 4.545146 3.928705 1.722535 ] [ 3.943017 3.203445 4.218269 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.360944e-10 2.643853e-10 2.165766e-10 ] [ 2.694587e-10 4.80447e-10 3.102481e-10 ] [ 4.665525e-10 1.923814e-10 2.374826e-10 ] [ 4.545146e-10 3.928705e-10 1.722535e-10 ] [ 3.943017e-10 3.203445e-10 4.218269e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -10.7741341 -7.2866153 -5.1283901 ] [ -1.9775194 4.4111388 0.1681287 ] [ 0.3187836 -8.009246 3.0755165 ] [ 8.4075222 13.815246 -12.2495997 ] [ 4.0253478 -2.9305235 14.1343446 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.726206590660262e-08 -1.16744447746069e-08 -8.216586788256923e-09 ] [ -3.1683353759617e-09 7.067423514690799e-09 2.693718746447958e-10 ] [ 5.107476352224023e-10 -1.283222679715796e-08 4.927520673781461e-09 ] [ 1.347033561867627e-08 2.213446433416196e-08 -1.962602241519341e-08 ] [ 6.449318188883304e-09 -4.695216277087899e-09 2.264571665502408e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -5.2739369 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.449778470370393e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.9578943 2.3897066 2.0093533 ] [ 2.8044936 4.6309473 2.9968625 ] [ 4.4792116 1.9707512 2.4366908 ] [ 4.8557903 4.3336228 1.4416 ] [ 4.1118292 3.1792591 4.6993703 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9578943e-10 2.3897066e-10 2.0093533e-10 ] [ 2.8044936e-10 4.6309473e-10 2.9968625e-10 ] [ 4.4792116e-10 1.9707512e-10 2.4366908e-10 ] [ 4.8557903e-10 4.3336228e-10 1.4416e-10 ] [ 4.1118292e-10 3.1792591e-10 4.6993703e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.2e-06 -1.42e-05 3e-07 ] [ -2.23e-05 2.74e-05 1.5e-06 ] [ -1.4e-06 -4.3e-06 -2.7e-06 ] [ 1.6e-05 -3e-06 5e-06 ] [ 1.18e-05 -5.9e-06 -4.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.729141862799999e-15 -2.27509082028e-14 4.806529901999999e-16 ] [ -3.572853893819999e-14 4.389963977159999e-14 2.403264951e-15 ] [ -2.2430472876e-15 -6.8893595262e-15 -4.3258769118e-15 ] [ 2.5634826144e-14 -4.806529901999999e-15 8.010883169999999e-15 ] [ 1.89056842812e-14 -9.452842140600001e-15 -6.729141862799999e-15 ] ] } "relaxed-potential-energy" { "source-value" -13.588965 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.177192220324381e-18 } }