{ "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" [ [ 2.55675 2.192965 3.527099 ] [ 1.806278 5.26626 2.450306 ] [ 0.8031725 3.384297 2.630387 ] [ 2.570894 3.149532 1.167105 ] [ 2.627788 4.286276 4.286712 ] [ 4.842075 2.861339 2.293967 ] [ 3.90768 5.002934 2.246314 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.55675e-10 2.192965e-10 3.527099e-10 ] [ 1.806278e-10 5.26626e-10 2.450306e-10 ] [ 8.031725e-11 3.384297e-10 2.630387e-10 ] [ 2.570894e-10 3.149532e-10 1.167105e-10 ] [ 2.627788e-10 4.286276e-10 4.286712e-10 ] [ 4.842075000000001e-10 2.861339e-10 2.293967e-10 ] [ 3.90768e-10 5.002934e-10 2.246314e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.2159713 -19.9133182 13.651991 ] [ -13.2612078 26.6666129 -2.8335597 ] [ -25.6125451 -7.8651664 -5.3789696 ] [ -0.3735858 -14.8954444 -31.6602529 ] [ 6.765824 6.920488 31.1283229 ] [ 10.9042248 -5.2616243 -0.4154947 ] [ 18.3613187 14.3484525 -4.492037 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.152554030023783e-09 -3.190465286259114e-08 2.187290080757201e-08 ] [ -2.12467971007306e-08 4.272462374430369e-08 -4.539863104981061e-09 ] [ -4.10358209584056e-08 -1.26013857247817e-08 -8.618059337113927e-09 ] [ -5.985504346228647e-10 -2.386513277410628e-08 -5.072531700499541e-08 ] [ 1.084004503324754e-08 1.108784407812695e-08 4.987307119509325e-08 ] [ 1.747049404250755e-08 -8.430051440893166e-09 -6.656958944063097e-10 ] [ 2.941807554819785e-08 2.298875514015931e-08 -7.197036661168569e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 13.826825 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.215301575489296e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.6974153 2.3482128 4.2938578 ] [ 1.9342551 5.35774 2.9734108 ] [ 0.7224355 4.0018701 1.4612179 ] [ 2.2668018 2.319405 0.8362286 ] [ 2.1530671 4.0306983 4.9188402 ] [ 4.2250208 2.8621119 2.0463801 ] [ 4.1156419 5.2235649 2.0719546 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.6974153e-10 2.3482128e-10 4.2938578e-10 ] [ 1.9342551e-10 5.35774e-10 2.9734108e-10 ] [ 7.224355000000001e-11 4.0018701e-10 1.4612179e-10 ] [ 2.2668018e-10 2.319405e-10 8.362286e-11 ] [ 2.1530671e-10 4.0306983e-10 4.9188402e-10 ] [ 4.225020800000001e-10 2.8621119e-10 2.0463801e-10 ] [ 4.1156419e-10 5.2235649e-10 2.0719546e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.7e-06 4.4e-06 1.69e-05 ] [ -4.3e-06 1.2e-05 -3e-06 ] [ -1.49e-05 6.6e-06 -1e-05 ] [ 7.2e-06 -2.7e-06 6.1e-06 ] [ 4.3e-06 -1.03e-05 -1.7e-06 ] [ -1.2e-06 -5e-07 -1.81e-05 ] [ 2.1e-06 -9.5e-06 9.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.073458335936e-14 7.04957713152e-15 2.707678489152e-14 ] [ -6.889359469440001e-15 1.92261194496e-14 -4.8065298624e-15 ] [ -2.387243164992e-14 1.057436569728e-14 -1.6021766208e-14 ] [ 1.153567166976e-14 -4.32587687616e-15 9.77327738688e-15 ] [ 6.889359469440001e-15 -1.650241919424e-14 -2.72370025536e-15 ] [ -1.92261194496e-15 -8.010883104e-16 -2.899939683648e-14 ] [ 3.36457090368e-15 -1.52206778976e-14 1.586154854592e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.037353 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.889902527771674e-18 } }