{ "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" [ [ 2.04098 2.133134 3.812884 ] [ 2.161605 4.797503 2.926814 ] [ 2.748178 3.149118 1.513672 ] [ 4.833213 2.247647 2.725743 ] [ 4.087134 1.710162 4.852625 ] [ 4.720686 4.556589 2.507622 ] [ 3.429181 3.830938 4.469304 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.04098e-10 2.133134e-10 3.812884e-10 ] [ 2.161605e-10 4.797503e-10 2.926814e-10 ] [ 2.748178e-10 3.149118e-10 1.513672e-10 ] [ 4.833213e-10 2.247647e-10 2.725743e-10 ] [ 4.087134e-10 1.710162e-10 4.852625e-10 ] [ 4.720686e-10 4.556589e-10 2.507622e-10 ] [ 3.429181e-10 3.830938e-10 4.469304000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.8698814 -3.097028 -1.1301095 ] [ -3.4589409 4.6036143 -1.1466951 ] [ -0.3742167 -2.2792182 -2.161777 ] [ 2.8545895 -3.39876 -2.8026808 ] [ 2.1330815 -3.9504529 2.3134209 ] [ 2.141454 2.5921936 -1.1306494 ] [ 0.573914 5.5296514 6.058491 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.200233504348774e-09 -4.961985855562983e-09 -1.810635019843978e-09 ] [ -5.541834242708911e-09 7.375803202640558e-09 -1.837208080405918e-09 ] [ -5.995612478529274e-10 -3.651710113741858e-09 -3.463548568783161e-09 ] [ 4.573556558881161e-09 -5.445413811710208e-09 -4.490389653325041e-09 ] [ 3.417573309560995e-09 -6.32932327795156e-09 3.706508880050095e-09 ] [ 3.430987533318644e-09 4.153151982507387e-09 -1.811500035001548e-09 ] [ 9.195115931498113e-10 8.859478194253989e-09 9.706772637527213e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.643695 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.185960915032586e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.835316 1.9206981 3.9978748 ] [ 2.5156141 4.997669 2.4319114 ] [ 2.4563976 2.6613333 1.7692405 ] [ 4.8316469 2.4160312 2.3191643 ] [ 4.2643374 1.6698441 4.56025 ] [ 4.944633 4.7468073 2.994296 ] [ 3.173032 4.012708 4.735927 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.835316e-10 1.9206981e-10 3.9978748e-10 ] [ 2.5156141e-10 4.997669000000001e-10 2.4319114e-10 ] [ 2.4563976e-10 2.6613333e-10 1.7692405e-10 ] [ 4.8316469e-10 2.4160312e-10 2.3191643e-10 ] [ 4.2643374e-10 1.6698441e-10 4.56025e-10 ] [ 4.944633e-10 4.746807300000001e-10 2.994296e-10 ] [ 3.173032e-10 4.012708e-10 4.735927e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.72e-05 -4.45e-05 -5.7e-06 ] [ 1.34e-05 -1.78e-05 2.35e-05 ] [ -3.68e-05 -0.0 -2.16e-05 ] [ 2.8e-05 -1.24e-05 4.1e-06 ] [ -1.9e-06 1.16e-05 8e-07 ] [ 2.15e-05 3e-05 -8.1e-06 ] [ 1.3e-05 3.32e-05 6.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.960097029376001e-14 -7.129685962560001e-14 -9.13240673856e-15 ] [ 2.146916671872e-14 -2.851874385024e-14 3.76511505888e-14 ] [ -5.896009964544001e-14 0.0 -3.460701500928e-14 ] [ 4.48609453824e-14 -1.986699009792e-14 6.568924145279999e-15 ] [ -3.04413557952e-15 1.858524880128e-14 1.28174129664e-15 ] [ 3.44467973472e-14 4.8065298624e-14 -1.297763062848e-14 ] [ 2.08282960704e-14 5.319226381056e-14 1.105501868352e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.735789 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.841586648724181e-18 } }