{ "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" [ [ 0.1126891 1.464287 0.6414025 ] [ 1.365449 0.1265984 2.502806 ] [ 0.3364486 2.37729 2.80341 ] [ 2.851665 1.424041 0.0715282 ] [ 2.597469 0.5436052 1.609588 ] [ 2.328633 2.330176 2.375244 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.126891e-11 1.464287e-10 6.414025e-11 ] [ 1.365449e-10 1.265984e-11 2.502806e-10 ] [ 3.364486e-11 2.37729e-10 2.80341e-10 ] [ 2.851665e-10 1.424041e-10 7.15282e-12 ] [ 2.597469e-10 5.436052e-11 1.609588e-10 ] [ 2.328633e-10 2.330176e-10 2.375244e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.9099292 0.1712312 -3.1992557 ] [ -27.335604 -14.2164662 19.3340492 ] [ -8.3055663 2.5089116 3.2439387 ] [ 1.2898342 7.1498278 -15.6712774 ] [ 28.4224838 -9.3140387 -8.4546271 ] [ 7.8387815 13.7005343 4.7471722 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.060043911623248e-09 2.743426253915289e-10 -5.125772686501139e-09 ] [ -4.379646564424697e-08 -2.277728977603342e-08 3.097656161363695e-08 ] [ -1.330698414836436e-08 4.019719509173921e-09 5.197362744448345e-09 ] [ 2.066542199948271e-09 1.14552869439059e-08 -2.510815426835141e-08 ] [ 4.553783904942674e-08 -1.492273505036642e-08 -1.35458058772021e-08 ] [ 1.255911245485956e-08 2.195067574792849e-08 7.605808313751701e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -1.7994159 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.882982086075791e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.5399395 1.1637337 0.6590787 ] [ 1.0478265 0.261273 3.0811541 ] [ -0.0362101 2.4679621 2.7392119 ] [ 2.7784861 2.0230485 -0.1221798 ] [ 2.8081309 -0.0169507 1.2917022 ] [ 2.4541807 2.366931 2.3550117 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.399395e-11 1.1637337e-10 6.590787e-11 ] [ 1.0478265e-10 2.61273e-11 3.0811541e-10 ] [ -3.62101e-12 2.4679621e-10 2.7392119e-10 ] [ 2.7784861e-10 2.0230485e-10 -1.221798e-11 ] [ 2.8081309e-10 -1.69507e-12 1.2917022e-10 ] [ 2.454180700000001e-10 2.366931e-10 2.3550117e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.55e-05 -1.56e-05 -3.8e-06 ] [ -9.1e-06 6.6e-06 3.66e-05 ] [ -5.41e-05 -2e-06 7e-07 ] [ 2.57e-05 9.6e-06 -1.84e-05 ] [ 4.7e-06 -4.66e-05 -5.13e-05 ] [ 4.83e-05 4.81e-05 3.62e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.48337376224e-14 -2.499395528448e-14 -6.08827115904e-15 ] [ -1.457980724928e-14 1.057436569728e-14 5.863966432128e-14 ] [ -8.667775518528e-14 -3.2043532416e-15 1.12152363456e-15 ] [ 4.117593915456e-14 1.538089555968e-14 -2.948004982272e-14 ] [ 7.53023011776e-15 -7.466143052928e-14 -8.219166064704e-14 ] [ 7.738513078464e-14 7.706469546047999e-14 5.799879367296e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.784895 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.169889621398282e-18 } }