{ "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" [ [ 1.891577 1.147444 4.176951 ] [ 1.947528 5.315412 2.001915 ] [ 3.037668 3.274696 0.9821769 ] [ 1.344392 3.383525 2.90788 ] [ 3.679276 1.837825 2.704146 ] [ 4.016034 4.351153 3.141989 ] [ 3.129852 3.103182 4.716137 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.891577e-10 1.147444e-10 4.176951e-10 ] [ 1.947528e-10 5.315412000000001e-10 2.001915e-10 ] [ 3.037668e-10 3.274696e-10 9.821769000000001e-11 ] [ 1.344392e-10 3.383525e-10 2.90788e-10 ] [ 3.679276000000001e-10 1.837825e-10 2.704146e-10 ] [ 4.016034e-10 4.351153e-10 3.141989e-10 ] [ 3.129852e-10 3.103182e-10 4.716137e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.915953 -0.2314224 -0.3546198 ] [ 1.5690574 2.4914244 -1.3638419 ] [ -0.5759946 1.4156288 -0.8168124 ] [ -2.0637726 -3.8284483 1.5698101 ] [ 1.2011048 -1.274428 0.2185174 ] [ 1.9759453 2.466181 -3.2200089 ] [ -1.1903872 -1.0389354 3.9669556 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.467518482351623e-09 -3.707795588094259e-10 -5.681635528327719e-10 ] [ 2.513907082973234e-09 3.991701926170668e-09 -2.185115606647452e-09 ] [ -9.228450818270478e-10 2.268087367091159e-09 -1.308677730859538e-09 ] [ -3.30652821036763e-09 -6.133850360201504e-09 2.51511304131571e-09 ] [ 1.92438202969066e-09 -2.041858746492902e-09 3.501034695180019e-10 ] [ 3.165813363639643e-09 3.951257540861165e-09 -5.159022978347925e-09 ] [ -1.907210541539574e-09 -1.664558008401496e-09 6.355763518071636e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.311728 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.254297572964874e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8947933 1.1385984 3.9555662 ] [ 2.1151184 5.3690238 2.0024531 ] [ 2.8333904 3.2306987 1.0711316 ] [ 1.2205677 3.3106923 3.0137311 ] [ 3.9020557 1.8750925 2.8145994 ] [ 4.0878476 4.3438999 2.9672255 ] [ 2.9925539 3.1452314 4.8064881 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8947933e-10 1.1385984e-10 3.9555662e-10 ] [ 2.1151184e-10 5.3690238e-10 2.0024531e-10 ] [ 2.8333904e-10 3.2306987e-10 1.0711316e-10 ] [ 1.2205677e-10 3.3106923e-10 3.0137311e-10 ] [ 3.9020557e-10 1.8750925e-10 2.8145994e-10 ] [ 4.0878476e-10 4.3438999e-10 2.9672255e-10 ] [ 2.9925539e-10 3.1452314e-10 4.806488100000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.96e-05 -9.2e-06 2.79e-05 ] [ -4.94e-05 2.76e-05 -2.03e-05 ] [ 4.33e-05 -2.93e-05 -5.68e-05 ] [ -0.0001647 1.29e-05 3.8e-06 ] [ 4.88e-05 -7.78e-05 -4.48e-05 ] [ 0.000124 0.0001058 2.12e-05 ] [ 2.76e-05 -3e-05 6.89e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.742442797568e-14 -1.474002491136e-14 4.470072772032e-14 ] [ -7.914752506752001e-14 4.422007473408001e-14 -3.252418540224e-14 ] [ 6.937424768064e-14 -4.694377498944e-14 -9.100363206143999e-14 ] [ -2.6387848944576e-13 2.066807840832e-14 6.08827115904e-15 ] [ 7.818621909504e-14 -1.2464934109824e-13 -7.177751261183999e-14 ] [ 1.986699009792e-13 1.6951028648064e-13 3.396614436096001e-14 ] [ 4.422007473408001e-14 -4.8065298624e-14 1.1038996917312e-13 ] ] } "relaxed-potential-energy" { "source-value" -22.034706 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.530349079940148e-18 } }