{ "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" [ [ 1.0219851 0.4589099 0.1178634 ] [ 0.3447684 0.20373 0.4111124 ] [ 0.2596592 -1.0658404 -0.5371519 ] [ 1.878514 -7.1125936 -11.1969197 ] [ -0.8466517 -1.3143038 18.401359 ] [ -2.6582749 8.8300979 -7.1962632 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.637400647516153e-09 7.352547188912765e-10 1.888379854837956e-10 ] [ 5.523798746215656e-10 3.264114456448199e-10 6.586746812276616e-10 ] [ 4.160199030431327e-10 -1.707664584453213e-09 -8.606122230887046e-10 ] [ 3.009711237441876e-09 -1.139563127305794e-08 -1.793944311611429e-08 ] [ -1.356485570876378e-09 -2.105746838337409e-09 2.94822274236456e-08 ] [ -4.259025931528686e-09 1.414737653131247e-08 -1.152968475115407e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -9.9991327 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.602037677220533e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.6023148 0.1443732 1.6957106 ] [ -0.0325443 2.2773117 0.8697261 ] [ 1.4891419 3.3254402 2.4067181 ] [ 2.8750437 0.5658747 1.0373198 ] [ 2.1239995 1.1925027 3.2327061 ] [ 2.2401898 2.6988152 0.2113357 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.023148000000001e-11 1.443732e-11 1.6957106e-10 ] [ -3.25443e-12 2.2773117e-10 8.697260999999999e-11 ] [ 1.4891419e-10 3.3254402e-10 2.4067181e-10 ] [ 2.8750437e-10 5.658747e-11 1.0373198e-10 ] [ 2.1239995e-10 1.1925027e-10 3.2327061e-10 ] [ 2.2401898e-10 2.6988152e-10 2.113357e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.4e-06 1.59e-05 3.6e-06 ] [ 1.62e-05 -3.1e-06 -1.7e-06 ] [ -3e-07 -1.3e-05 4.8e-06 ] [ -1.7e-06 1.42e-05 2.4e-06 ] [ -4.6e-06 -1.4e-06 -7.3e-06 ] [ -1.09e-05 -1.25e-05 -1.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.2430472876e-15 2.54746084806e-14 5.767835882399999e-15 ] [ 2.59552614708e-14 -4.9667475654e-15 -2.7237002778e-15 ] [ -4.806529901999999e-16 -2.082829624199999e-14 7.690447843199998e-15 ] [ -2.7237002778e-15 2.27509082028e-14 3.845223921599999e-15 ] [ -7.370012516399999e-15 -2.2430472876e-15 -1.16958894282e-14 ] [ -1.74637253106e-14 -2.0027207925e-14 -3.0441356046e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.513765 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.806014505636701e-18 } }