{ "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" [ [ 1.899847 1.906187 1.523281 ] [ 1.884769 1.70171 3.709853 ] [ 2.49478 3.91064 2.644859 ] [ 3.453021 0.2240813 2.013003 ] [ 4.505277 2.817941 2.046258 ] [ 4.372743 1.259433 3.808578 ] [ 3.775648 3.545824 4.38804 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.899847e-10 1.906187e-10 1.523281e-10 ] [ 1.884769e-10 1.70171e-10 3.709853e-10 ] [ 2.49478e-10 3.91064e-10 2.644859e-10 ] [ 3.453021e-10 2.240813e-11 2.013003e-10 ] [ 4.505277e-10 2.817941e-10 2.046258e-10 ] [ 4.372743e-10 1.259433e-10 3.808578e-10 ] [ 3.775648e-10 3.545824e-10 4.38804e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.4759395 0.598957 -4.6322125 ] [ 0.9480489 -0.256242 3.6761295 ] [ -3.0586477 2.3394804 -2.2581715 ] [ -0.0816207 -0.0391134 -1.120261 ] [ -0.1699249 -1.1484598 -1.4107659 ] [ 1.3772681 -0.6314797 3.1543983 ] [ 1.4608157 -0.8631425 2.5908831 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.62539146097643e-10 9.596349101707378e-10 -7.421622631222724e-09 ] [ 1.518941795469402e-09 -4.10544945049428e-10 5.889808788458102e-09 ] [ -4.900493876577841e-09 3.748260832580973e-09 -3.61798961286473e-09 ] [ -1.307707783907238e-10 -6.266657555629559e-11 -1.794855998181474e-09 ] [ -2.722497043147865e-10 -1.840035456648313e-09 -2.260296161023981e-09 ] [ 2.206626768573575e-09 -1.01174202018533e-09 5.053903250589321e-09 ] [ 2.340484781120353e-09 -1.382906745312345e-09 4.151052364245485e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.36008 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.262044444237072e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9647337 2.0511828 1.2068473 ] [ 2.0619798 1.7185015 3.7566022 ] [ 2.2375531 4.0237748 2.626884 ] [ 3.3962585 0.277503 2.0938966 ] [ 4.3340438 2.6717334 1.9959328 ] [ 4.5538178 1.153899 4.0621547 ] [ 3.8376984 3.4692218 4.3915544 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9647337e-10 2.0511828e-10 1.2068473e-10 ] [ 2.0619798e-10 1.7185015e-10 3.7566022e-10 ] [ 2.2375531e-10 4.0237748e-10 2.626884e-10 ] [ 3.3962585e-10 2.77503e-11 2.0938966e-10 ] [ 4.3340438e-10 2.6717334e-10 1.9959328e-10 ] [ 4.5538178e-10 1.153899e-10 4.0621547e-10 ] [ 3.8376984e-10 3.4692218e-10 4.391554400000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.59e-05 -5.8e-06 2.93e-05 ] [ 1.3e-06 -9.3e-06 7e-07 ] [ 2.53e-05 -3.4e-05 1.8e-06 ] [ -3.2e-06 2.2e-05 -1.3e-06 ] [ 4.5e-06 -1.02e-05 -5.8e-06 ] [ -3.92e-05 2.7e-05 -3.57e-05 ] [ -4.7e-06 1.03e-05 1.09e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.54746084806e-14 -9.2926244772e-15 4.69437753762e-14 ] [ 2.0828296242e-15 -1.49002426962e-14 1.1215236438e-15 ] [ 4.053506884019999e-14 -5.447400555599999e-14 2.8839179412e-15 ] [ -5.1269652288e-15 3.5247885948e-14 -2.0828296242e-15 ] [ 7.209794853e-15 -1.63422016668e-14 -9.2926244772e-15 ] [ -6.280532405279998e-14 4.325876911799999e-14 -5.719770583379999e-14 ] [ -7.530230179799999e-15 1.65024193302e-14 1.74637253106e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.516096 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.607476290010086e-18 } }