{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.007741 0.810981 1.851579 ] [ 2.28758 2.972606 1.775704 ] [ 2.775609 2.277586 3.884458 ] [ 3.461309 1.568578 0.4572952 ] [ 4.556331 2.173826 2.191246 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.007741e-10 8.10981e-11 1.851579e-10 ] [ 2.28758e-10 2.972606e-10 1.775704e-10 ] [ 2.775609000000001e-10 2.277586e-10 3.884458e-10 ] [ 3.461309e-10 1.568578e-10 4.572952e-11 ] [ 4.556331e-10 2.173826e-10 2.191246e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.1857372 -2.9425248 1.9323941 ] [ -1.2384366 3.5913333 -0.1984835 ] [ 0.2764064 -0.6074725 0.3252598 ] [ 1.1239124 -0.8263109 -4.4108875 ] [ 2.0238549 0.784975 2.3517171 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.501937041052854e-09 -4.714444440684196e-09 3.096036649191857e-09 ] [ -1.984194166863041e-09 5.753950250760513e-09 -3.180056233145568e-10 ] [ 4.428518719194932e-10 -9.73278237278928e-10 5.211236472460838e-10 ] [ 1.800706171107218e-09 -1.323896005492207e-09 -7.067020829478961e-09 ] [ 3.242573004671522e-09 1.25766859291248e-09 3.767866156355576e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.022272 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.406833298969846e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7424223 0.8009406 1.9722346 ] [ 2.3333021 3.173403 1.6936748 ] [ 2.8643348 1.9301121 3.7497842 ] [ 3.5132999 1.3849807 0.4835204 ] [ 4.635211 2.5141406 2.2610682 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7424223e-10 8.009406000000001e-11 1.9722346e-10 ] [ 2.3333021e-10 3.173403e-10 1.6936748e-10 ] [ 2.8643348e-10 1.9301121e-10 3.7497842e-10 ] [ 3.5132999e-10 1.3849807e-10 4.835204e-11 ] [ 4.635211e-10 2.5141406e-10 2.2610682e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.8e-06 3.4e-06 2.23e-05 ] [ 2.23e-05 -1.14e-05 2.72e-05 ] [ -2.68e-05 -3.7e-06 -4.38e-05 ] [ -9.5e-06 -1.03e-05 -1.15e-05 ] [ 1.02e-05 2.2e-05 5.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.08827115904e-15 5.44740051072e-15 3.572853864384e-14 ] [ 3.572853864384e-14 -1.826481347712e-14 4.357920408576e-14 ] [ -4.293833343744e-14 -5.928053496960001e-15 -7.017533599104001e-14 ] [ -1.52206778976e-14 -1.650241919424e-14 -1.84250311392e-14 ] [ 1.634220153216e-14 3.52478856576e-14 9.292624400640001e-15 ] ] } "relaxed-potential-energy" { "source-value" -16.28693 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.609453847060615e-18 } }