{ "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" [ [ 2.875077 1.739271 0.5500127 ] [ 2.247142 4.095662 1.890424 ] [ 4.370849 2.938246 1.693427 ] [ 3.902852 1.049683 3.036341 ] [ 5.923496 0.662055 4.457524 ] [ 5.031061 2.817229 4.209838 ] [ 4.680107 5.055758 2.976326 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.875077e-10 1.739271e-10 5.500127000000001e-11 ] [ 2.247142e-10 4.095662e-10 1.890424e-10 ] [ 4.370849e-10 2.938246e-10 1.693427e-10 ] [ 3.902852e-10 1.049683e-10 3.036341e-10 ] [ 5.923496e-10 6.62055e-11 4.457524e-10 ] [ 5.031061e-10 2.817229e-10 4.209838000000001e-10 ] [ 4.680106999999999e-10 5.055758e-10 2.976326e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.2484393 -5.5627029 -6.0368839 ] [ -0.6969747 1.7576894 0.6762336 ] [ 8.1501254 4.6405281 -1.0874318 ] [ -4.5986367 -5.3731155 -1.4656098 ] [ 5.0766235 -6.6208691 2.1580429 ] [ 0.1711647 8.2956345 5.5062317 ] [ -0.8538629 2.8628354 0.2494174 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.161327998374792e-08 -8.912432534836359e-09 -9.672154247063925e-09 ] [ -1.116676569629094e-09 2.816128863307979e-09 1.083445664119419e-09 ] [ 1.305794037246825e-08 7.434945629985445e-09 -1.742257806674461e-09 ] [ -7.367828208292864e-09 -8.608680034958102e-09 -2.348165756775364e-09 ] [ 8.13364748430387e-09 -1.060780168139714e-08 3.457565881063432e-09 ] [ 2.742360806462457e-10 1.32910716506019e-08 8.821955698447839e-09 ] [ -1.368039175748488e-09 4.586767947078616e-09 3.996107271007219e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -17.125381 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.743788506049253e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6510561 1.6969386 1.0869606 ] [ 2.7120424 4.2615435 1.3066204 ] [ 5.018216 2.7184384 1.8007228 ] [ 3.4999781 0.8373493 3.348399 ] [ 6.1790388 1.0269177 3.4964397 ] [ 4.5855295 2.8712188 4.6341461 ] [ 4.3847231 4.9454977 3.1406042 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6510561e-10 1.6969386e-10 1.0869606e-10 ] [ 2.7120424e-10 4.2615435e-10 1.3066204e-10 ] [ 5.018216e-10 2.7184384e-10 1.8007228e-10 ] [ 3.4999781e-10 8.373493e-11 3.348399e-10 ] [ 6.1790388e-10 1.0269177e-10 3.4964397e-10 ] [ 4.5855295e-10 2.8712188e-10 4.6341461e-10 ] [ 4.3847231e-10 4.9454977e-10 3.1406042e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.02e-05 2.64e-05 3.94e-05 ] [ -3.1e-05 4e-07 -2.27e-05 ] [ -2.17e-05 7.03e-05 -6.35e-05 ] [ -2.7e-06 -8.03e-05 -1.1e-06 ] [ 1.74e-05 -6.04e-05 1e-07 ] [ -4.12e-05 3.16e-05 8.36e-05 ] [ 3.89e-05 1.2e-05 -3.57e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.440750015616e-14 4.229746278912e-14 6.312575885952001e-14 ] [ -4.96674752448e-14 6.408706483200001e-16 -3.636940929216e-14 ] [ -3.476723267136e-14 1.1263301644224e-13 -1.017382154208e-13 ] [ -4.32587687616e-15 -1.2865478265024e-13 -1.76239428288e-15 ] [ 2.787787320192e-14 -9.677146789632e-14 1.6021766208e-16 ] [ -6.600967677696001e-14 5.062878121728e-14 1.3394196549888e-13 ] [ 6.232467054911999e-14 1.92261194496e-14 -5.719770536256001e-14 ] ] } "relaxed-potential-energy" { "source-value" -23.43377 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.754503843120442e-18 } }