{ "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" [ [ 2.930378 5.180054 2.851976 ] [ 5.738994 3.052967 1.218676 ] [ 3.217774 2.94037 2.40806 ] [ 5.439965 2.572298 3.526756 ] [ 4.050256 4.656384 1.057411 ] [ 5.133306 4.977378 3.451883 ] [ 3.497867 4.079859 4.731393 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.930378e-10 5.180054e-10 2.851976e-10 ] [ 5.738994e-10 3.052967000000001e-10 1.218676e-10 ] [ 3.217774e-10 2.94037e-10 2.40806e-10 ] [ 5.439965e-10 2.572298e-10 3.526756e-10 ] [ 4.050256e-10 4.656384e-10 1.057411e-10 ] [ 5.133306e-10 4.977378e-10 3.451883e-10 ] [ 3.497867e-10 4.079859e-10 4.731393e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.9068708 4.6198408 0.1177604 ] [ 0.6341713 -0.1589397 0.008138 ] [ -2.4680507 -5.7945005 -0.7087615 ] [ 0.3685106 -0.3663806 -0.3243442 ] [ 1.679558 0.8013699 -4.6147417 ] [ 5.7505527 2.4215852 1.0915295 ] [ -1.0578711 -1.5229751 4.4304194 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.861673677046193e-09 7.401800921577969e-09 1.886729597360563e-10 ] [ 1.016054430442343e-09 -2.546494714569658e-10 1.30385133400704e-11 ] [ -3.954253130489075e-09 -9.28381323031391e-09 -1.135561105023139e-09 ] [ 5.904190678369806e-10 -5.870064316346765e-10 -5.196566943320794e-10 ] [ 2.690948560877607e-09 1.283936118392834e-09 -7.393631262770847e-09 ] [ 9.213401092618316e-09 3.879807192715292e-09 1.748823045813514e-09 ] [ -1.694896344239979e-09 -2.440075099280542e-09 7.098314383018763e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.337074 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.816399491107954e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.4566875 5.719224 2.6073087 ] [ 5.7622499 3.9708344 1.4235734 ] [ 3.2091595 2.4632915 2.8059257 ] [ 5.4595239 2.3815522 3.1813431 ] [ 3.5003711 3.9921125 1.1150176 ] [ 5.4665888 4.8023508 3.7479024 ] [ 3.1539593 4.1299446 4.3650841 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.4566875e-10 5.719224e-10 2.6073087e-10 ] [ 5.7622499e-10 3.970834400000001e-10 1.4235734e-10 ] [ 3.2091595e-10 2.4632915e-10 2.8059257e-10 ] [ 5.4595239e-10 2.3815522e-10 3.1813431e-10 ] [ 3.5003711e-10 3.9921125e-10 1.1150176e-10 ] [ 5.4665888e-10 4.8023508e-10 3.7479024e-10 ] [ 3.1539593e-10 4.1299446e-10 4.3650841e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.11e-05 2.47e-05 -9.2e-06 ] [ 1.35e-05 9.1e-06 -1.02e-05 ] [ -7.5e-06 -1.24e-05 -1.73e-05 ] [ 2.2e-06 -1.6e-05 9.3e-06 ] [ -1.39e-05 -1.36e-05 1e-07 ] [ 3.55e-05 1.12e-05 9e-06 ] [ -1.86e-05 -2.9e-06 1.81e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.778416049088e-14 3.957376253376001e-14 -1.474002491136e-14 ] [ 2.16293843808e-14 1.457980724928e-14 -1.634220153216e-14 ] [ -1.2016324656e-14 -1.986699009792e-14 -2.771765553984e-14 ] [ 3.52478856576e-15 -2.56348259328e-14 1.490024257344e-14 ] [ -2.227025502912e-14 -2.178960204288e-14 1.6021766208e-16 ] [ 5.68772700384e-14 1.794437815296e-14 1.44195895872e-14 ] [ -2.980048514688e-14 -4.646312200320001e-15 2.899939683648e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.445632 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.314445386308035e-18 } }