{ "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" [ [ 3.095423 1.998262 0.8352723 ] [ 3.003915 2.107064 3.861401 ] [ 2.921301 4.877628 0.9226955 ] [ 1.839297 3.508607 2.236053 ] [ 4.200263 0.9739816 2.537715 ] [ 4.333089 3.298954 2.357847 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.095423e-10 1.998262e-10 8.352723e-11 ] [ 3.003915e-10 2.107064e-10 3.861401e-10 ] [ 2.921301e-10 4.877627999999999e-10 9.226955000000001e-11 ] [ 1.839297e-10 3.508607e-10 2.236053e-10 ] [ 4.200263e-10 9.739816e-11 2.537715e-10 ] [ 4.333089e-10 3.298954000000001e-10 2.357847e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.5366346 0.3084713 -1.4338477 ] [ -1.6645818 1.2841029 2.2790613 ] [ 1.072804 -0.1610921 -0.2936618 ] [ -1.0492209 -0.9876556 0.8625123 ] [ 1.4171714 -1.9490999 -1.116621 ] [ 0.7604619 1.5052733 -0.297443 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.597834100323596e-10 4.94225505047783e-10 -2.297277262727852e-09 ] [ -2.666954043369181e-09 2.05735964508148e-09 3.651458732230055e-09 ] [ 1.718821487500723e-09 -2.580979964155757e-10 -4.704980703820454e-10 ] [ -1.681037196034735e-09 -1.582398711722196e-09 1.381897042212436e-09 ] [ 2.270558884746405e-09 -3.122802291383618e-09 -1.789024060494317e-09 ] [ 1.218394277189148e-09 2.411713689174464e-09 -4.765562206206145e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -17.106917 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.740830247136607e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7007599 2.026223 0.5882906 ] [ 2.9775873 2.4547027 3.8727392 ] [ 3.2730323 4.2771066 1.1087957 ] [ 1.4870585 3.20627 2.2614053 ] [ 4.191288 1.2746555 2.199625 ] [ 4.7635621 3.5255388 2.7201281 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7007599e-10 2.026223e-10 5.882906e-11 ] [ 2.9775873e-10 2.4547027e-10 3.8727392e-10 ] [ 3.2730323e-10 4.2771066e-10 1.1087957e-10 ] [ 1.4870585e-10 3.20627e-10 2.2614053e-10 ] [ 4.191288e-10 1.2746555e-10 2.199625e-10 ] [ 4.7635621e-10 3.5255388e-10 2.7201281e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.06e-05 -4.7e-06 -2.26e-05 ] [ 7.6e-06 -1.2e-06 2.31e-05 ] [ -9.6e-06 2.09e-05 -1.89e-05 ] [ -2.54e-05 1.32e-05 -4.7e-06 ] [ 2.44e-05 -2.85e-05 5.7e-06 ] [ 1.36e-05 3e-07 1.74e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.698307218048e-14 -7.53023011776e-15 -3.620919163008e-14 ] [ 1.217654231808e-14 -1.92261194496e-15 3.701027994048e-14 ] [ -1.538089555968e-14 3.348549137472e-14 -3.028113813312e-14 ] [ -4.069528616832e-14 2.114873139456e-14 -7.53023011776e-15 ] [ 3.909310954752e-14 -4.56620336928e-14 9.13240673856e-15 ] [ 2.178960204288e-14 4.8065298624e-16 2.787787320192e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.930693 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.033031374014222e-18 } }