{ "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" [ [ 1.919195 1.598632 0.607522 ] [ 2.894266 0.8592219 2.792014 ] [ 2.250891 3.034774 3.11288 ] [ 5.028948 2.389792 2.243338 ] [ 4.250492 2.740815 4.381763 ] [ 4.34969 4.079675 2.747402 ] [ 3.264148 3.629997 0.8600408 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.919195e-10 1.598632e-10 6.07522e-11 ] [ 2.894266e-10 8.592219e-11 2.792014e-10 ] [ 2.250891e-10 3.034774e-10 3.11288e-10 ] [ 5.028948e-10 2.389792e-10 2.243338e-10 ] [ 4.250492000000001e-10 2.740815e-10 4.381763e-10 ] [ 4.34969e-10 4.079675e-10 2.747402e-10 ] [ 3.264148e-10 3.629997e-10 8.600408e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6746122 0.53227 1.5920043 ] [ 1.6051734 -0.6789873 -0.2027023 ] [ -6.0481212 2.2599325 0.3369347 ] [ 9.0786897 -14.8738755 -6.9347043 ] [ -1.0990163 -4.6485153 5.8548323 ] [ -2.4095992 18.4288993 2.1341885 ] [ -1.8017386 -1.0197237 -2.7805532 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.080847894946454e-09 8.527905499532161e-10 2.550672069673069e-09 ] [ 2.571771293810047e-09 -1.087857577880116e-09 -3.247648860423879e-10 ] [ -9.69015838640484e-09 3.620811016086096e-09 5.398288990762617e-10 ] [ 1.454566438483777e-08 -2.383057558678991e-08 -1.111062110162123e-08 ] [ -1.760818221738119e-09 -7.447742535091097e-09 9.380475429764693e-09 ] [ -3.860603503738384e-09 2.952635160553749e-08 3.419346919080221e-09 ] [ -2.886703461712923e-09 -1.633777471815673e-09 -4.454937329930626e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.441449 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.634210519987554e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.996452 1.675286 0.9602781 ] [ 3.0976151 0.7368885 2.905715 ] [ 2.1615093 3.1408244 2.9198398 ] [ 4.9164001 2.1924712 2.0205053 ] [ 4.1057813 2.479708 4.3655225 ] [ 4.2985902 4.458993 2.869011 ] [ 3.381282 3.6487358 0.704088 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.996452e-10 1.675286e-10 9.602781e-11 ] [ 3.0976151e-10 7.368885e-11 2.905715e-10 ] [ 2.1615093e-10 3.1408244e-10 2.9198398e-10 ] [ 4.9164001e-10 2.1924712e-10 2.0205053e-10 ] [ 4.1057813e-10 2.479708e-10 4.3655225e-10 ] [ 4.2985902e-10 4.458993000000001e-10 2.869011e-10 ] [ 3.381282e-10 3.6487358e-10 7.040880000000001e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.17e-05 2.38e-05 -3.4e-06 ] [ 1.6e-05 3.37e-05 -2.48e-05 ] [ 0.000197 -3.89e-05 4.3e-06 ] [ -0.0001376 6.35e-05 7.51e-05 ] [ -3.9e-05 1.49e-05 -1.7e-06 ] [ -2.7e-05 -8.57e-05 -2.79e-05 ] [ -3.11e-05 -1.14e-05 -2.15e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.476723267136e-14 3.813180357504e-14 -5.44740051072e-15 ] [ 2.56348259328e-14 5.399335212096e-14 -3.973398019584e-14 ] [ 3.156287942976e-13 -6.232467054911999e-14 6.889359469440001e-15 ] [ -2.2045950302208e-13 1.017382154208e-13 1.2032346422208e-13 ] [ -6.248488821120001e-14 2.387243164992e-14 -2.72370025536e-15 ] [ -4.32587687616e-14 -1.3730653640256e-13 -4.470072772032e-14 ] [ -4.982769290688e-14 -1.826481347712e-14 -3.44467973472e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.385491 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.586551032532881e-18 } }