{ "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" [ [ 1.173582 1.448006 2.849718 ] [ 1.983285 3.621531 1.348175 ] [ 2.327062 3.623818 3.682153 ] [ 3.341801 1.495458 1.660386 ] [ 3.963915 2.011825 3.715692 ] [ 4.47485 3.510245 1.32465 ] [ 4.551743 4.234559 4.054178 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.173582e-10 1.448006e-10 2.849718e-10 ] [ 1.983285e-10 3.621531e-10 1.348175e-10 ] [ 2.327062e-10 3.623818e-10 3.682153e-10 ] [ 3.341801e-10 1.495458e-10 1.660386e-10 ] [ 3.963915e-10 2.011825e-10 3.715692e-10 ] [ 4.47485e-10 3.510245e-10 1.32465e-10 ] [ 4.551743e-10 4.234559e-10 4.054178000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.2218425 1.0210691 -0.2519846 ] [ 0.6421942 -0.6415209 0.2703724 ] [ -1.62962 0.3925976 0.5880877 ] [ -0.7641575 -0.6419857 -1.2978705 ] [ 0.5074965 -0.4764066 1.0184396 ] [ -0.2590269 0.419206 0.7657784 ] [ 0.2812713 -0.0729595 -1.092823 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.957607487799824e-09 1.635933040241298e-09 -4.037238349216397e-10 ] [ 1.028908533253359e-09 -1.027829787734575e-09 4.33184338189586e-10 ] [ -2.610939064788096e-09 6.290106961021901e-10 9.422203639200441e-10 ] [ -1.224315281108976e-09 -1.028574479427923e-09 -2.079417771926006e-09 ] [ 8.130990274378273e-10 -7.632875165148173e-10 1.631720116816904e-09 ] [ -4.150068433382995e-10 6.716420524990848e-10 1.226912249193631e-09 ] [ 4.50646300962023e-10 -1.168940051652576e-10 -1.750895461272519e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.79788 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.17197004774039e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.5433059 1.6689774 2.8748836 ] [ 2.0221579 3.5034058 1.4317969 ] [ 2.1544134 3.7608247 3.8380351 ] [ 3.5255764 1.5228151 1.5610505 ] [ 3.657827 1.7802399 3.9672896 ] [ 4.3920516 3.7291886 1.3087837 ] [ 4.5209057 3.9799904 3.6531126 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5433059e-10 1.6689774e-10 2.8748836e-10 ] [ 2.0221579e-10 3.5034058e-10 1.4317969e-10 ] [ 2.1544134e-10 3.760824700000001e-10 3.8380351e-10 ] [ 3.5255764e-10 1.5228151e-10 1.5610505e-10 ] [ 3.657827e-10 1.7802399e-10 3.9672896e-10 ] [ 4.3920516e-10 3.7291886e-10 1.3087837e-10 ] [ 4.5209057e-10 3.9799904e-10 3.6531126e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0 9.5e-06 6.2e-06 ] [ 8e-06 -1.37e-05 4.1e-06 ] [ 1.09e-05 -1e-05 -8.5e-06 ] [ -5.6e-06 3.8e-06 -5e-07 ] [ -2.8e-06 1.27e-05 -1.34e-05 ] [ -2.4e-06 2.4e-06 1.9e-05 ] [ -8e-06 -4.7e-06 -7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 1.52206778976e-14 9.93349504896e-15 ] [ 1.28174129664e-14 -2.194981970496e-14 6.568924145279999e-15 ] [ 1.746372516672e-14 -1.6021766208e-14 -1.36185012768e-14 ] [ -8.972189076479999e-15 6.08827115904e-15 -8.010883104e-16 ] [ -4.48609453824e-15 2.034764308416e-14 -2.146916671872e-14 ] [ -3.84522388992e-15 3.84522388992e-15 3.04413557952e-14 ] [ -1.28174129664e-14 -7.53023011776e-15 -1.12152363456e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.43874 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.434864800740979e-18 } }