{ "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" [ [ -5.7699309 5.400683 -0.0514766 ] [ 0.3688497 0.5908197 1.086259 ] [ 0.5062188 -3.4597378 1.5036665 ] [ -2.0651764 0.807074 1.9375455 ] [ 1.9291663 1.8160394 -4.0017233 ] [ 4.0349659 -0.7676822 -3.0482777 ] [ 0.9959067 -4.3871961 2.5740066 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.244448391611502e-09 8.652848038952007e-09 -8.247460503827327e-11 ] [ 5.909623659290938e-10 9.465975104480698e-10 1.740378773933587e-09 ] [ 8.11051926369431e-10 -5.543111017258027e-09 2.409139311780164e-09 ] [ -3.308777345907909e-09 1.293075094055539e-09 3.104290101836246e-09 ] [ 3.090865143495239e-09 2.909615869131659e-09 -6.411467514170624e-09 ] [ 6.464728030705232e-09 -1.22996247304431e-09 -4.883879264645996e-09 ] [ 1.595618431238079e-09 -7.029063022284939e-09 4.124013196304898e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.745003 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.644151204662587e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7607478 5.3124678 2.9179128 ] [ 5.6630525 3.0958128 1.4412533 ] [ 3.2805695 2.864822 2.3595935 ] [ 5.3802405 2.5011104 3.7850704 ] [ 4.0441098 4.8333162 0.9053145 ] [ 5.2932986 4.9806975 3.1393091 ] [ 3.5865213 3.8710833 4.6977014 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7607478e-10 5.3124678e-10 2.9179128e-10 ] [ 5.6630525e-10 3.0958128e-10 1.4412533e-10 ] [ 3.2805695e-10 2.864822e-10 2.3595935e-10 ] [ 5.3802405e-10 2.5011104e-10 3.7850704e-10 ] [ 4.0441098e-10 4.8333162e-10 9.053145e-11 ] [ 5.2932986e-10 4.9806975e-10 3.1393091e-10 ] [ 3.5865213e-10 3.8710833e-10 4.6977014e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.74e-05 -1.29e-05 -2.33e-05 ] [ -2.41e-05 -1.51e-05 1.26e-05 ] [ -2.93e-05 -4.45e-05 -1.02e-05 ] [ -1.9e-06 3.74e-05 2.54e-05 ] [ -6.3e-06 4.01e-05 5e-05 ] [ -6.9e-06 -1e-06 1.02e-05 ] [ 4.11e-05 -4.1e-06 -6.47e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.389963940992e-14 -2.066807840832e-14 -3.733071526464e-14 ] [ -3.861245656128e-14 -2.419286697408e-14 2.018742542208e-14 ] [ -4.694377498944e-14 -7.129685962560001e-14 -1.634220153216e-14 ] [ -3.04413557952e-15 5.992140561792e-14 4.069528616832e-14 ] [ -1.009371271104e-14 6.424728249408e-14 8.010883104e-14 ] [ -1.105501868352e-14 -1.6021766208e-15 1.634220153216e-14 ] [ 6.584945911488e-14 -6.568924145279999e-15 -1.0366082736576e-13 ] ] } "relaxed-potential-energy" { "source-value" -26.557231 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.254937462138501e-18 } }