{ "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" [ [ 2.669584 2.17361 1.86928 ] [ 2.40373 2.157546 4.053208 ] [ 2.652376 4.1548 1.079323 ] [ 1.859138 4.715654 3.12876 ] [ 4.632592 2.488435 2.820091 ] [ 5.239324 3.537857 1.028061 ] [ 3.752209 4.156911 4.495978 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.669584e-10 2.17361e-10 1.86928e-10 ] [ 2.40373e-10 2.157546e-10 4.053208e-10 ] [ 2.652376e-10 4.1548e-10 1.079323e-10 ] [ 1.859138e-10 4.715654e-10 3.12876e-10 ] [ 4.632592e-10 2.488435e-10 2.820091e-10 ] [ 5.239324e-10 3.537857e-10 1.028061e-10 ] [ 3.752209000000001e-10 4.156911e-10 4.495978e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.843801 -2.369841 -1.2061603 ] [ 0.0425576 0.9433806 0.9852528 ] [ 1.049885 1.6807594 -1.3916057 ] [ 0.2741773 -0.1503668 0.861405 ] [ 0.8877367 -0.5106299 2.5839552 ] [ -1.0628674 1.100208 -1.1553433 ] [ -0.3476883 -0.6935103 -0.6775038 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.351918234807661e-09 -3.796903845213293e-09 -1.932481833597114e-09 ] [ 6.818479175735809e-11 1.511462341836277e-09 1.578549001737738e-09 ] [ 1.682101201528608e-09 2.692873415869835e-09 -2.229598117912018e-09 ] [ 4.392804600140679e-10 -2.409141715045095e-10 1.380122952040224e-09 ] [ 1.422310986166143e-09 -8.181192876614418e-10 4.139952610634589e-09 ] [ -1.702901299290482e-09 1.762727535617127e-09 -1.851064024257921e-09 ] [ -5.570580655856966e-10 -1.111125988943994e-09 -1.085480748863159e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.577921 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.136728731006936e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9433616 1.9626504 1.5687477 ] [ 2.3570209 2.4157344 3.8263154 ] [ 2.5845587 4.2596034 1.0290175 ] [ 2.0049747 4.7074451 3.2604846 ] [ 4.6977702 2.4926204 3.1684461 ] [ 4.7812232 3.409731 0.9989758 ] [ 3.8400437 4.1370283 4.622714 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9433616e-10 1.9626504e-10 1.5687477e-10 ] [ 2.3570209e-10 2.4157344e-10 3.8263154e-10 ] [ 2.5845587e-10 4.2596034e-10 1.0290175e-10 ] [ 2.0049747e-10 4.7074451e-10 3.2604846e-10 ] [ 4.6977702e-10 2.4926204e-10 3.1684461e-10 ] [ 4.781223200000001e-10 3.409731e-10 9.989758e-11 ] [ 3.8400437e-10 4.1370283e-10 4.622714e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.6e-06 -1.1e-06 -8.2e-06 ] [ -6.7e-06 2.43e-05 7.1e-06 ] [ -9.5e-06 -1.25e-05 2.72e-05 ] [ 4.43e-05 -2.9e-05 -1.68e-05 ] [ -2e-05 2.15e-05 -3.1e-06 ] [ 2.4e-06 9.1e-06 5e-07 ] [ -1.32e-05 -1.23e-05 -6.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.16565921408e-15 -1.76239428288e-15 -1.313784829056e-14 ] [ -1.073458335936e-14 3.893289188544e-14 1.137545400768e-14 ] [ -1.52206778976e-14 -2.002720776e-14 4.357920408576e-14 ] [ 7.097642430144e-14 -4.64631220032e-14 -2.691656722944e-14 ] [ -3.2043532416e-14 3.44467973472e-14 -4.96674752448e-15 ] [ 3.84522388992e-15 1.457980724928e-14 8.010883104e-16 ] [ -2.114873139456e-14 -1.970677243584e-14 -1.073458335936e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.037892 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.370641871331535e-18 } }