{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 3.095423 1.998262 0.8352723 ] [ 3.003915 2.107064 3.861401 ] [ 2.921301 4.877628 0.9226955 ] [ 1.839297 3.508607 2.236053 ] [ 4.200263 0.9739816 2.537715 ] [ 4.333089 3.298954 2.357847 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.095423e-10 1.998262e-10 8.352723e-11 ] [ 3.003915e-10 2.107064e-10 3.861401e-10 ] [ 2.921301e-10 4.877627999999999e-10 9.226955000000001e-11 ] [ 1.839297e-10 3.508607e-10 2.236053e-10 ] [ 4.200263e-10 9.739816e-11 2.537715e-10 ] [ 4.333089e-10 3.298954000000001e-10 2.357847e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -16.1531324 -13.4018883 -29.5023168 ] [ -40.3495778 17.4691551 45.1051792 ] [ 67.434144 32.7770888 -27.3867057 ] [ -99.475848 -54.2219533 53.5031003 ] [ 27.7439132 -59.388285 -18.4765814 ] [ 60.800501 76.7658826 -23.2426757 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.588017129718834e-08 -2.147219228573798e-08 -4.726792262582565e-08 ] [ -6.464715074292512e-08 2.798867211694193e-08 7.226646418662281e-08 ] [ 1.080414098505913e-07 5.25146858059031e-08 -4.387833995477461e-08 ] [ -1.593778793129356e-07 -8.687314662709919e-08 8.572141714721838e-08 ] [ 4.445064946476416e-08 -9.515052256033268e-08 -2.960274699527901e-08 ] [ 9.741314203769361e-08 1.229925033901072e-07 -3.723887191817959e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 46.694039 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.481209823288472e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6032976 1.8209471 0.2819715 ] [ 2.903685 2.4099677 4.2428097 ] [ 3.2975503 4.5866242 0.8912961 ] [ 1.1194824 3.280638 2.3239904 ] [ 4.3875225 0.9503207 2.2007839 ] [ 5.0817503 3.7159989 2.8101322 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6032976e-10 1.8209471e-10 2.819715e-11 ] [ 2.903685e-10 2.4099677e-10 4.2428097e-10 ] [ 3.2975503e-10 4.5866242e-10 8.912961e-11 ] [ 1.1194824e-10 3.280638e-10 2.3239904e-10 ] [ 4.387522500000001e-10 9.503207e-11 2.2007839e-10 ] [ 5.081750300000001e-10 3.7159989e-10 2.8101322e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.5e-06 1.45e-05 -1.93e-05 ] [ -8.2e-06 3.07e-05 -1.79e-05 ] [ -1.5e-06 6.8e-06 -3.1e-06 ] [ 1.08e-05 -3.67e-05 2.13e-05 ] [ -4.9e-06 8.2e-06 1.48e-05 ] [ 7.3e-06 -2.35e-05 4.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.607618218999999e-15 2.3231561193e-14 -3.09220090362e-14 ] [ -1.31378483988e-14 4.91868226638e-14 -2.86789617486e-14 ] [ -2.403264951e-15 1.08948011112e-14 -4.9667475654e-15 ] [ 1.73035076472e-14 -5.879988246779999e-14 3.41263623042e-14 ] [ -7.850665506599998e-15 1.31378483988e-14 2.37122141832e-14 ] [ 1.16958894282e-14 -3.765115089899999e-14 6.8893595262e-15 ] ] } "relaxed-potential-energy" { "source-value" -16.010417 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.565151601799638e-18 } }