{ "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" [ [ 0.0450915 0.6744384 2.108849 ] [ 0.1091138 2.224666 0.3426204 ] [ 1.10319 2.788623 2.698849 ] [ 2.780637 1.123883 1.270131 ] [ 2.821139 0.9081744 2.973557 ] [ 2.438974 2.484533 0.05951 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.50915e-12 6.744384e-11 2.108849e-10 ] [ 1.091138e-11 2.224666e-10 3.426204e-11 ] [ 1.10319e-10 2.788623e-10 2.698849e-10 ] [ 2.780637e-10 1.123883e-10 1.270131e-10 ] [ 2.821139e-10 9.081744000000001e-11 2.973557e-10 ] [ 2.438974e-10 2.484533e-10 5.951e-12 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.1479015 -1.4491185 0.2113904 ] [ 0.1767705 1.0283622 -1.6445532 ] [ 0.1304641 0.678549 2.8901966 ] [ -1.9214103 -4.0529768 -2.9136969 ] [ -1.2816297 0.3885218 6.0584264 ] [ -0.2520961 3.4066623 -4.6017632 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.043494187881252e-09 -2.321743781468765e-09 3.386847567415603e-10 ] [ 2.832175623471264e-10 1.647617874554454e-09 -2.634864688701827e-09 ] [ 2.090265308737133e-10 1.087155343867219e-09 4.630605422035649e-09 ] [ -3.078438661624315e-09 -6.493584673604797e-09 -4.668257053277436e-09 ] [ -2.053397141862918e-09 6.224805446311333e-10 9.706669136917508e-09 ] [ -4.039024776148589e-10 5.458074692020755e-09 -7.372837413497795e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.144907 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.266263929879027e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.4711586 0.4399731 1.9597978 ] [ 0.3469422 2.4992505 0.5960783 ] [ 1.2565419 2.7536745 2.8816099 ] [ 2.6969201 1.4456679 1.2382807 ] [ 2.3471831 0.5941023 3.673733 ] [ 2.1793994 2.4716495 -0.8959834 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.711586e-11 4.399731e-11 1.9597978e-10 ] [ 3.469422e-11 2.4992505e-10 5.960783e-11 ] [ 1.2565419e-10 2.7536745e-10 2.8816099e-10 ] [ 2.6969201e-10 1.4456679e-10 1.2382807e-10 ] [ 2.3471831e-10 5.941023e-11 3.673733e-10 ] [ 2.1793994e-10 2.4716495e-10 -8.959834e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.96e-05 -1.33e-05 8.25e-05 ] [ -3.16e-05 -1.23e-05 -2.58e-05 ] [ 5.84e-05 -1.2e-05 -2.26e-05 ] [ 5.67e-05 5.9e-06 0.0001033 ] [ -9.66e-05 -6.3e-06 -8.66e-05 ] [ -2.65e-05 3.81e-05 -5.09e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.344619418368e-14 -2.130894905664e-14 1.32179571216e-13 ] [ -5.062878121728e-14 -1.970677243584e-14 -4.133615681664e-14 ] [ 9.356711465472001e-14 -1.92261194496e-14 -3.620919163008e-14 ] [ 9.084341439936e-14 9.45284206272e-15 1.6550484492864e-13 ] [ -1.5477026156928e-13 -1.009371271104e-14 -1.3874849536128e-13 ] [ -4.24576804512e-14 6.104292925248e-14 -8.155078999872e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.309927 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.254009020955468e-18 } }