{ "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" [ [ 0.7859888 0.7922848 0.3283142 ] [ 1.326446 2.971813 1.139898 ] [ 0.4302915 2.603801 2.617302 ] [ 2.920361 1.53739 0.8701039 ] [ 1.870212 1.959004 2.746341 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.859888e-11 7.922848000000001e-11 3.283142e-11 ] [ 1.326446e-10 2.971813e-10 1.139898e-10 ] [ 4.302915e-11 2.603801e-10 2.617302e-10 ] [ 2.920361000000001e-10 1.53739e-10 8.701039000000001e-11 ] [ 1.870212e-10 1.959004e-10 2.746341e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.2952434 -3.1779118 -3.4908611 ] [ 0.8451401 11.1608064 -16.4560009 ] [ -26.409244 7.071344 9.103709 ] [ 6.0358814 -3.0796285 -3.1891672 ] [ 21.8234659 -11.97461 14.0323202 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.677385314525503e-09 -5.091575988924446e-09 -5.592976040880171e-09 ] [ 1.354063709520574e-09 1.788158308335501e-08 -2.636541991384376e-08 ] [ -4.231227330980268e-08 1.132954203443436e-08 1.458574972236655e-08 ] [ 9.670548065001574e-09 -4.934108783449373e-09 -5.109609127662197e-09 ] [ 3.496504684980603e-08 -1.918544018519789e-08 2.248225536001958e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 4.6798125 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.4978861772276e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.6350296 0.6400995 0.7409648 ] [ 1.4945821 3.5691565 0.7933908 ] [ 0.1510567 2.3455588 2.2876388 ] [ 2.7822576 1.6001663 0.7931252 ] [ 2.2703734 1.7093116 3.0868395 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.350296e-11 6.400995e-11 7.409648e-11 ] [ 1.4945821e-10 3.5691565e-10 7.933907999999999e-11 ] [ 1.510567e-11 2.3455588e-10 2.2876388e-10 ] [ 2.7822576e-10 1.6001663e-10 7.931252e-11 ] [ 2.2703734e-10 1.7093116e-10 3.0868395e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.6e-06 2.02e-05 -3.66e-05 ] [ -1.31e-05 -4.95e-05 -8e-07 ] [ -3.14e-05 2.35e-05 5.7e-06 ] [ 3.6e-06 2.8e-06 4.1e-06 ] [ 4.24e-05 3e-06 2.76e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.56348259328e-15 3.236396774016e-14 -5.863966432128e-14 ] [ -2.098851373248e-14 -7.930774272959999e-14 -1.28174129664e-15 ] [ -5.030834589312e-14 3.76511505888e-14 9.13240673856e-15 ] [ 5.76783583488e-15 4.48609453824e-15 6.568924145279999e-15 ] [ 6.793228872192001e-14 4.8065298624e-15 4.422007473408001e-14 ] ] } "relaxed-potential-energy" { "source-value" -8.7233245 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.397630656955185e-18 } }